3-(3-chlorophenyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea

Systemtic Name: 3-(3-chlorophenyl)-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea Openeye Name: 3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-14-5-2-6-15-11-16(20(27)24-19(14)15)13-25(9-4-10-26)21(28)23-18-8-3-7-17(22)12-18/h2-3,5-8,11-12,26H,4,9-10,13H2,1H3,(H,23,28)(H,24,27)