4-nitro-N-[2-[3-(phenylmethylsulfanyl)indol-1-yl]ethyl]benzamide

Systemtic Name: 4-nitro-N-[2-[3-(phenylmethylsulfanyl)indol-1-yl]ethyl]benzamide Openeye Name: N-[2-(3-benzylsulfanylindol-1-yl)ethyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[2-[3-(phenylmethylthio)-1-indolyl]ethyl]benzamide IUPAC Name: N-[2-(3-benzylsulfanylindol-1-yl)ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-(benzylthio)indol-1-yl]ethyl]-4-nitro-benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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