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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)NC(=S)NCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)NC(=S)NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C19H20N4O3S2/c1-25-15-10-13-14(11-16(15)26-2)21-19(28)23(17(13)24)22-18(27)20-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,28)(H2,20,22,27)