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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)thiourea Formula: C18H17ClN4O3S2 MolecularWeight: 436.93558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC

InChI

InChI=1S/C18H17ClN4O3S2/c1-9-11(19)5-4-6-12(9)20-17(27)22-23-16(24)10-7-14(25-2)15(26-3)8-13(10)21-18(23)28/h4-8H,1-3H3,(H,21,28)(H2,20,22,27)