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

Systemtic Name: 1-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)thiourea Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC)C

InChI

InChI=1S/C19H20N4O3S2/c1-10-5-6-12(7-11(10)2)20-18(27)22-23-17(24)13-8-15(25-3)16(26-4)9-14(13)21-19(23)28/h5-9H,1-4H3,(H,21,28)(H2,20,22,27)