7-[(4-methylphenyl)amino]-4,5-diphenyl-1,4-thiazepin-4-ium-3-one

Systemtic Name: 7-[(4-methylphenyl)amino]-4,5-diphenyl-1,4-thiazepin-4-ium-3-one Openeye Name: 7-(4-methylanilino)-4,5-diphenyl-1,4-thiazepin-4-ium-3-one CAS Name: 7-(4-methylanilino)-4,5-diphenyl-1,4-thiazepin-4-ium-3-one IUPAC Name: 7-(4-methylanilino)-4,5-diphenyl-1,4-thiazepin-4-ium-3-one Traditional Name: 4,5-diphenyl-7-(p-toluidino)-1,4-thiazepin-4-ium-3-one Formula: C24H21N2OS+ MolecularWeight: 385.50134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC(=[N+](C(=O)CS2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC(=[N+](C(=O)CS2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2OS/c1-18-12-14-20(15-13-18)25-23-16-22(19-8-4-2-5-9-19)26(24(27)17-28-23)21-10-6-3-7-11-21/h2-16H,17H2,1H3/p+1