ethyl 4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)NC1=S

InChI

InChI=1S/C18H22N4O4S/c1-3-22-16(24)13-6-5-12(11-14(13)19-17(22)27)15(23)20-7-9-21(10-8-20)18(25)26-4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,27)