1-(1,3-benzodioxol-4-ylmethyl)-N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-5-methoxy-2-methyl-indole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-5-methoxy-2-methyl-indole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-5-methoxy-2-methyl-indole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-5-methoxy-2-methyl-3-indolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]-5-methoxy-2-methylindole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-4-ylmethyl)-N-[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]-5-methoxy-2-methyl-indole-3-carboxamide Formula: C31H30N4O5S MolecularWeight: 570.6587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=C4C(=CC=C3)OCO4)C=CC(=C2)OC)C(=O)NC(CSCC5=CC=CC=C5)C(=O)NCC#N

Isomeric SMILES

CC1=C(C2=C(N1CC3=C4C(=CC=C3)OCO4)C=CC(=C2)OC)C(=O)NC(CSCC5=CC=CC=C5)C(=O)NCC#N

InChI

InChI=1S/C31H30N4O5S/c1-20-28(31(37)34-25(30(36)33-14-13-32)18-41-17-21-7-4-3-5-8-21)24-15-23(38-2)11-12-26(24)35(20)16-22-9-6-10-27-29(22)40-19-39-27/h3-12,15,25H,14,16-19H2,1-2H3,(H,33,36)(H,34,37)