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

Systemtic Name: ethyl 4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C19H22N4O4S/c1-3-7-23-17(25)14-6-5-13(12-15(14)20-18(23)28)16(24)21-8-10-22(11-9-21)19(26)27-4-2/h3,5-6,12H,1,4,7-11H2,2H3,(H,20,28)