N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide

Systemtic Name: N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Openeye Name: N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide CAS Name: N-[2-[3-[(4-nitrophenyl)methylthio]-1-indolyl]ethyl]benzamide IUPAC Name: N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Traditional Name: N-[2-[3-[(4-nitrobenzyl)thio]indol-1-yl]ethyl]benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O3S/c28-24(19-6-2-1-3-7-19)25-14-15-26-16-23(21-8-4-5-9-22(21)26)31-17-18-10-12-20(13-11-18)27(29)30/h1-13,16H,14-15,17H2,(H,25,28)