ethyl 4-[(4-oxidanylidene-1H-quinazolin-6-yl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-oxidanylidene-1H-quinazolin-6-yl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-oxo-1H-quinazolin-6-yl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[(4-oxo-1H-quinazolin-6-yl)amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-1H-quinazolin-6-yl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(4-keto-1H-quinazolin-6-yl)thiocarbamoyl]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)C(=S)NC2=CC3=C(C=C2)NC=NC3=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)NC=NC3=O

InChI

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