N-[(2S)-1-[(3,5-dimethylphenyl)methyl-methyl-amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-methylsulfanyl-spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

Systemtic Name: N-[(2S)-1-[(3,5-dimethylphenyl)methyl-methyl-amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-methylsulfanyl-spiro[2H-indole-3,4'-piperidine]-1'-carboxamide Openeye Name: N-[(1S)-2-[(3,5-dimethylphenyl)methyl-methyl-amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-methylsulfanyl-spiro[indoline-3,4'-piperidine]-1'-carboxamide CAS Name: N-[(2S)-1-[(3,5-dimethylphenyl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(methylthio)-1'-spiro[2H-indole-3,4'-piperidine]carboxamide IUPAC Name: N-[(2S)-1-[(3,5-dimethylphenyl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-methylsulfanylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide Traditional Name: N-[(1S)-2-[(3,5-dimethylbenzyl)-methyl-amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-(methylthio)spiro[indoline-3,4'-piperidine]-1'-carboxamide Formula: C35H41N5O2S MolecularWeight: 595.79734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)N4CCC5(CC4)CN(C6=CC=CC=C56)SC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN(C)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)N4CCC5(CC4)CN(C6=CC=CC=C56)SC)C

InChI

InChI=1S/C35H41N5O2S/c1-24-17-25(2)19-26(18-24)22-38(3)33(41)31(20-27-21-36-30-11-7-5-9-28(27)30)37-34(42)39-15-13-35(14-16-39)23-40(43-4)32-12-8-6-10-29(32)35/h5-12,17-19,21,31,36H,13-16,20,22-23H2,1-4H3,(H,37,42)/t31-/m0/s1