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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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