methyl 4-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 4-[[(4-oxo-1H-quinazolin-2-yl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 4-[(4-keto-1H-quinazoline-2-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C15H11N3O3S2 MolecularWeight: 345.39614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC=C1NC(=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CSC=C1NC(=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H11N3O3S2/c1-21-15(20)9-6-23-7-11(9)17-14(22)12-16-10-5-3-2-4-8(10)13(19)18-12/h2-7H,1H3,(H,17,22)(H,16,18,19)