ethyl 4-(quinazolin-6-ylcarbamothioyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(quinazolin-6-ylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(quinazolin-6-ylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[(6-quinazolinylamino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(quinazolin-6-ylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-(quinazolin-6-ylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=CN=CN=C3C=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=CN=CN=C3C=C2

InChI

InChI=1S/C16H19N5O2S/c1-2-23-16(22)21-7-5-20(6-8-21)15(24)19-13-3-4-14-12(9-13)10-17-11-18-14/h3-4,9-11H,2,5-8H2,1H3,(H,19,24)