1-(5-chloranyl-2-methoxy-phenyl)-3-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)thiourea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)thiourea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiourea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiourea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)thiourea Formula: C18H17ClN4O4S2 MolecularWeight: 452.93498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC

InChI

InChI=1S/C18H17ClN4O4S2/c1-25-13-5-4-9(19)6-12(13)20-17(28)22-23-16(24)10-7-14(26-2)15(27-3)8-11(10)21-18(23)29/h4-8H,1-3H3,(H,21,29)(H2,20,22,28)