4-tert-butyl-N-[8-(hydroxymethyl)-4a,8-dimethyl-4-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[8-(hydroxymethyl)-4a,8-dimethyl-4-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]benzamide Openeye Name: N-[4-[2-[benzyl(methyl)amino]-2-oxo-ethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]benzamide IUPAC Name: N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-tert-butylbenzamide Traditional Name: N-[4-[2-[benzyl(methyl)amino]-2-keto-ethyl]-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-tert-butyl-benzamide Formula: C35H45N3O4S MolecularWeight: 603.8145

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)N(C)CC4=CC=CC=C4)N=C(S3)NC(=O)C5=CC=C(C=C5)C(C)(C)C)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)N(C)CC4=CC=CC=C4)N=C(S3)NC(=O)C5=CC=C(C=C5)C(C)(C)C)(C)CO)O

InChI

InChI=1S/C35H45N3O4S/c1-33(2,3)24-14-12-23(13-15-24)31(42)37-32-36-30-25(18-29(41)38(6)20-22-10-8-7-9-11-22)34(4)17-16-28(40)35(5,21-39)27(34)19-26(30)43-32/h7-15,25,27-28,39-40H,16-21H2,1-6H3,(H,36,37,42)