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

Systemtic Name: methyl 2-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]cyclohexene-1-carboxylate Openeye Name: methyl 2-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]cyclohexene-1-carboxylate CAS Name: 2-[[(4-oxo-1H-quinazolin-2-yl)-sulfanylidenemethyl]amino]-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]cyclohexene-1-carboxylate Traditional Name: 2-[(4-keto-1H-quinazoline-2-carbothioyl)amino]cyclohexene-1-carboxylic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCCC1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=C(CCCC1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3O3S/c1-23-17(22)11-7-3-5-9-13(11)19-16(24)14-18-12-8-4-2-6-10(12)15(21)20-14/h2,4,6,8H,3,5,7,9H2,1H3,(H,19,24)(H,18,20,21)