N-[2-[3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-2-methyl-benzamide

Systemtic Name: N-[2-[3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-2-methyl-benzamide Openeye Name: N-[2-[3-[2-(4-butylanilino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-2-methyl-benzamide CAS Name: N-[2-[3-[[2-(4-butylanilino)-2-oxoethyl]thio]-1-indolyl]ethyl]-2-methylbenzamide IUPAC Name: N-[2-[3-[2-(4-butylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methylbenzamide Traditional Name: N-[2-[3-[[2-(4-butylanilino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-2-methyl-benzamide Formula: C30H33N3O2S MolecularWeight: 499.66692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C30H33N3O2S/c1-3-4-10-23-14-16-24(17-15-23)32-29(34)21-36-28-20-33(27-13-8-7-12-26(27)28)19-18-31-30(35)25-11-6-5-9-22(25)2/h5-9,11-17,20H,3-4,10,18-19,21H2,1-2H3,(H,31,35)(H,32,34)