N-[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-phenoxy-ethanamide

Systemtic Name: N-[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-phenoxy-ethanamide Openeye Name: N-[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-phenoxy-acetamide CAS Name: N-[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-phenoxyacetamide IUPAC Name: N-[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-phenoxyacetamide Traditional Name: N-[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-phenoxy-acetamide Formula: C30H40N4O6S MolecularWeight: 584.7268

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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)COC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C30H40N4O6S/c1-19(36)33-11-13-34(14-12-33)26(39)15-21-27-22(16-23-29(21,2)10-9-24(37)30(23,3)18-35)41-28(32-27)31-25(38)17-40-20-7-5-4-6-8-20/h4-8,21,23-24,35,37H,9-18H2,1-3H3,(H,31,32,38)