1-(3-chloranyl-4-fluoranyl-phenyl)-3-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)thiourea Formula: C17H14ClFN4O3S2 MolecularWeight: 440.899463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)NC(=S)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)NC(=S)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C17H14ClFN4O3S2/c1-25-13-6-9-12(7-14(13)26-2)21-17(28)23(15(9)24)22-16(27)20-8-3-4-11(19)10(18)5-8/h3-7H,1-2H3,(H,21,28)(H2,20,22,27)