2-methyl-N-[2-[3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]benzamide

Systemtic Name: 2-methyl-N-[2-[3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]benzamide Openeye Name: 2-methyl-N-[2-[3-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]benzamide CAS Name: 2-methyl-N-[2-[3-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-indolyl]ethyl]benzamide IUPAC Name: 2-methyl-N-[2-[3-[2-(3-methylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide Traditional Name: N-[2-[3-[[2-keto-2-(m-toluidino)ethyl]thio]indol-1-yl]ethyl]-2-methyl-benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C27H27N3O2S/c1-19-8-7-10-21(16-19)29-26(31)18-33-25-17-30(24-13-6-5-12-23(24)25)15-14-28-27(32)22-11-4-3-9-20(22)2/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,32)(H,29,31)