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

Systemtic Name: 1-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenyl-thiourea Openeye Name: 1-(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-3-phenyl-thiourea CAS Name: 1-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylthiourea IUPAC Name: 1-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-phenylthiourea Traditional Name: 1-(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)-3-phenyl-thiourea Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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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=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S2/c1-23-13-8-11-12(9-14(13)24-2)19-17(26)21(15(11)22)20-16(25)18-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,19,26)(H2,18,20,25)