N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(4-acetylpiperazino)-2-keto-ethyl]-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-(4-methoxyphenyl)acetamide Formula: C31H42N4O6S MolecularWeight: 598.75338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NC(=O)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C[C@@H]2C3=C(C[C@H]4[C@]2(CC[C@H]([C@@]4(C)CO)O)C)SC(=N3)NC(=O)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C31H42N4O6S/c1-19(37)34-11-13-35(14-12-34)27(40)16-22-28-23(17-24-30(22,2)10-9-25(38)31(24,3)18-36)42-29(33-28)32-26(39)15-20-5-7-21(41-4)8-6-20/h5-8,22,24-25,36,38H,9-18H2,1-4H3,(H,32,33,39)/t22-,24+,25-,30+,31+/m1/s1