ethyl 4-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-(2,3-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C25H28N4O4S MolecularWeight: 480.57922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C25H28N4O4S/c1-4-33-25(32)28-12-10-18(11-13-28)26-22(30)17-8-9-19-20(14-17)27-24(34)29(23(19)31)21-7-5-6-15(2)16(21)3/h5-9,14,18H,4,10-13H2,1-3H3,(H,26,30)(H,27,34)