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

Systemtic Name: 1-(4-butylphenyl)-3-(6,7-dimethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(6,7-dimethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)thiourea CAS Name: 1-(4-butylphenyl)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(6,7-dimethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(4-keto-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-yl)thiourea Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC

InChI

InChI=1S/C21H24N4O3S2/c1-4-5-6-13-7-9-14(10-8-13)22-20(29)24-25-19(26)15-11-17(27-2)18(28-3)12-16(15)23-21(25)30/h7-12H,4-6H2,1-3H3,(H,23,30)(H2,22,24,29)