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

Systemtic Name: N-[2-[3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[2-(4-butylanilino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[[2-(4-butylanilino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[2-(4-butylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[[2-(4-butylanilino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C29H30N4O4S MolecularWeight: 530.6379

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H30N4O4S/c1-2-3-6-21-9-13-23(14-10-21)31-28(34)20-38-27-19-32(26-8-5-4-7-25(26)27)18-17-30-29(35)22-11-15-24(16-12-22)33(36)37/h4-5,7-16,19H,2-3,6,17-18,20H2,1H3,(H,30,35)(H,31,34)