3-(3-chlorophenyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea

Systemtic Name: 3-(3-chlorophenyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Openeye Name: 3-(3-chlorophenyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea CAS Name: 3-(3-chlorophenyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea IUPAC Name: 3-(3-chlorophenyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Traditional Name: 3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-13-8-14(2)18-10-15(20(27)24-19(18)9-13)12-25(6-7-26)21(28)23-17-5-3-4-16(22)11-17/h3-5,8-11,26H,6-7,12H2,1-2H3,(H,23,28)(H,24,27)