1-[(4-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-thiourea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea Traditional Name: 1-(4-chlorobenzyl)-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-3-methyl-thiourea Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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