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

Systemtic Name: N-[2-[3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[[2-(4-bromoanilino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C25H21BrN4O4S MolecularWeight: 553.42764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H21BrN4O4S/c26-18-7-9-19(10-8-18)28-24(31)16-35-23-15-29(22-4-2-1-3-21(22)23)14-13-27-25(32)17-5-11-20(12-6-17)30(33)34/h1-12,15H,13-14,16H2,(H,27,32)(H,28,31)