ethyl 4-[3-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)N3CCN(CC3)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)N3CCN(CC3)C(=O)OCC)OCC

InChI

InChI=1S/C22H30N4O6S/c1-4-30-17-13-15-16(14-18(17)31-5-2)23-21(33)26(20(15)28)8-7-19(27)24-9-11-25(12-10-24)22(29)32-6-3/h13-14H,4-12H2,1-3H3,(H,23,33)