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

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)thiourea Openeye Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)thiourea CAS Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiourea IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiourea Traditional Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)thiourea Formula: C19H19ClN4O5S2 MolecularWeight: 482.96096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC)OC)Cl

InChI

InChI=1S/C19H19ClN4O5S2/c1-26-13-8-12(14(27-2)6-10(13)20)21-18(30)23-24-17(25)9-5-15(28-3)16(29-4)7-11(9)22-19(24)31/h5-8H,1-4H3,(H,22,31)(H2,21,23,30)