1-[(7-chloranyl-6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(7-chloranyl-6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(7-chloro-6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea CAS Name: 1-[(7-chloro-6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(7-chloro-6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea Traditional Name: 1-benzyl-1-[(7-chloro-2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Formula: C25H22ClN3OS MolecularWeight: 447.97968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)Cl

InChI

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