3-(3-chlorophenyl)-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(3-chlorophenyl)-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-chlorophenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-(3-chlorophenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-chlorophenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-(3-chlorophenyl)-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C25H22ClN3OS MolecularWeight: 447.97968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H22ClN3OS/c1-17-10-11-19-13-20(24(30)28-23(19)12-17)16-29(15-18-6-3-2-4-7-18)25(31)27-22-9-5-8-21(26)14-22/h2-14H,15-16H2,1H3,(H,27,31)(H,28,30)