1-(3-chloranyl-2-methyl-phenyl)-3-[2-(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-(2-keto-5,8-dimethyl-1H-quinolin-3-yl)ethyl]thiourea Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=S)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=S)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C21H22ClN3OS/c1-12-7-8-13(2)19-16(12)11-15(20(26)25-19)9-10-23-21(27)24-18-6-4-5-17(22)14(18)3/h4-8,11H,9-10H2,1-3H3,(H,25,26)(H2,23,24,27)