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

Systemtic Name: 1-[(4-chlorophenyl)-(2-oxidanylidene-4-phenyl-1H-quinolin-6-yl)methyl]-3-(2,2-dimethoxyethyl)thiourea Openeye Name: 1-[(4-chlorophenyl)-(2-oxo-4-phenyl-1H-quinolin-6-yl)methyl]-3-(2,2-dimethoxyethyl)thiourea CAS Name: 1-[(4-chlorophenyl)-(2-oxo-4-phenyl-1H-quinolin-6-yl)methyl]-3-(2,2-dimethoxyethyl)thiourea IUPAC Name: 1-[(4-chlorophenyl)-(2-oxo-4-phenyl-1H-quinolin-6-yl)methyl]-3-(2,2-dimethoxyethyl)thiourea Traditional Name: 1-[(4-chlorophenyl)-(2-keto-4-phenyl-1H-quinolin-6-yl)methyl]-3-(2,2-dimethoxyethyl)thiourea Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=S)NC(C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)NC(=O)C=C3C4=CC=CC=C4)OC

Isomeric SMILES

COC(CNC(=S)NC(C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)NC(=O)C=C3C4=CC=CC=C4)OC

InChI

InChI=1S/C27H26ClN3O3S/c1-33-25(34-2)16-29-27(35)31-26(18-8-11-20(28)12-9-18)19-10-13-23-22(14-19)21(15-24(32)30-23)17-6-4-3-5-7-17/h3-15,25-26H,16H2,1-2H3,(H,30,32)(H2,29,31,35)