ethyl 4-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]piperazine-1-carboxylate CAS Name: 4-[[(4-oxo-1H-quinazolin-2-yl)-sulfanylidenemethyl]amino]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]piperazine-1-carboxylate Traditional Name: 4-[(4-keto-1H-quinazoline-2-carbothioyl)amino]piperazine-1-carboxylic acid ethyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H19N5O3S/c1-2-24-16(23)20-7-9-21(10-8-20)19-15(25)13-17-12-6-4-3-5-11(12)14(22)18-13/h3-6H,2,7-10H2,1H3,(H,19,25)(H,17,18,22)