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

Systemtic Name: 3-(3-chlorophenyl)-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea Openeye Name: 3-(3-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea CAS Name: 3-(3-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea IUPAC Name: 3-(3-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea Traditional Name: 3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C22H24ClN3O4S/c1-29-19-10-14-9-15(21(28)25-18(14)12-20(19)30-2)13-26(7-4-8-27)22(31)24-17-6-3-5-16(23)11-17/h3,5-6,9-12,27H,4,7-8,13H2,1-2H3,(H,24,31)(H,25,28)