1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(p-tolyl)thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea Traditional Name: 1-benzyl-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-3-(p-tolyl)thiourea Formula: C27H27N3OS MolecularWeight: 441.58778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C(=C(C=C4)C)C)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C(=C(C=C4)C)C)NC3=O

InChI

InChI=1S/C27H27N3OS/c1-18-9-13-24(14-10-18)28-27(32)30(16-21-7-5-4-6-8-21)17-23-15-22-12-11-19(2)20(3)25(22)29-26(23)31/h4-15H,16-17H2,1-3H3,(H,28,32)(H,29,31)