1-[2-(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[2-(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[2-(2-keto-6,7-dimethyl-1H-quinolin-3-yl)ethyl]thiourea Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NCCC2=CC3=CC(=C(C=C3NC2=O)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NCCC2=CC3=CC(=C(C=C3NC2=O)C)C)C

InChI

InChI=1S/C22H25N3OS/c1-13-7-14(2)9-19(8-13)24-22(27)23-6-5-17-12-18-10-15(3)16(4)11-20(18)25-21(17)26/h7-12H,5-6H2,1-4H3,(H,25,26)(H2,23,24,27)