methyl 3-(3,3-diphenylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3,3-diphenylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(3,3-diphenylpropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(3,3-diphenylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(3,3-diphenylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(3,3-diphenylpropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-30-24(29)19-12-13-21-22(16-19)26-25(31)27(23(21)28)15-14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20H,14-15H2,1H3,(H,26,31)