3-fluoranyl-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: 3-fluoranyl-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]-3-fluoro-benzamide CAS Name: 3-fluoro-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]-3-fluorobenzamide 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]-3-fluoro-benzamide Formula: C31H36FN3O4S MolecularWeight: 565.698643

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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(=CC=C5)F)(C)CO)O

Isomeric SMILES

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

InChI

InChI=1S/C31H36FN3O4S/c1-30-13-12-25(37)31(2,18-36)24(30)16-23-27(22(30)15-26(38)35(3)17-19-8-5-4-6-9-19)33-29(40-23)34-28(39)20-10-7-11-21(32)14-20/h4-11,14,22,24-25,36-37H,12-13,15-18H2,1-3H3,(H,33,34,39)