N-butyl-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide

Systemtic Name: N-butyl-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide Openeye Name: N-butyl-3-(p-tolylsulfanyl)-1H-indole-2-carboxamide CAS Name: N-butyl-3-[(4-methylphenyl)thio]-1H-indole-2-carboxamide IUPAC Name: N-butyl-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxamide Traditional Name: N-butyl-3-(p-tolylthio)-1H-indole-2-carboxamide Formula: C20H22N2OS MolecularWeight: 338.46648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N2OS/c1-3-4-13-21-20(23)18-19(16-7-5-6-8-17(16)22-18)24-15-11-9-14(2)10-12-15/h5-12,22H,3-4,13H2,1-2H3,(H,21,23)