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

Systemtic Name: 2-methyl-7-[(4-methylphenyl)amino]-4,5-diphenyl-1,4-thiazepin-4-ium-3-one Openeye Name: 2-methyl-7-(4-methylanilino)-4,5-diphenyl-1,4-thiazepin-4-ium-3-one CAS Name: 2-methyl-7-(4-methylanilino)-4,5-diphenyl-1,4-thiazepin-4-ium-3-one IUPAC Name: 2-methyl-7-(4-methylanilino)-4,5-diphenyl-1,4-thiazepin-4-ium-3-one Traditional Name: 2-methyl-4,5-diphenyl-7-(p-toluidino)-1,4-thiazepin-4-ium-3-one Formula: C25H23N2OS+ MolecularWeight: 399.52792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)[N+](=C(C=C(S1)NC2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1C(=O)[N+](=C(C=C(S1)NC2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2OS/c1-18-13-15-21(16-14-18)26-24-17-23(20-9-5-3-6-10-20)27(25(28)19(2)29-24)22-11-7-4-8-12-22/h3-17,19H,1-2H3/p+1