ethyl 4-[[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(2,5-dimethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2,5-dimethoxyphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C24H26N4O6S/c1-4-34-24(31)27-11-9-26(10-12-27)21(29)15-5-7-17-18(13-15)25-23(35)28(22(17)30)19-14-16(32-2)6-8-20(19)33-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,35)