ethyl 4-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H24N4O4S/c1-2-31-23(30)26-13-11-25(12-14-26)20(28)17-9-7-16(8-10-17)15-27-21(29)18-5-3-4-6-19(18)24-22(27)32/h3-10H,2,11-15H2,1H3,(H,24,32)