N-[2-(1H-indol-3-ylsulfanyl)ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(1H-indol-3-ylthio)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(1H-indol-3-ylthio)ethyl]-4-methyl-3-nitro-benzamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSC2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSC2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-12-6-7-13(10-16(12)21(23)24)18(22)19-8-9-25-17-11-20-15-5-3-2-4-14(15)17/h2-7,10-11,20H,8-9H2,1H3,(H,19,22)