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

Systemtic Name: ethyl 4-[(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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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)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4S/c1-2-32-24(31)27-14-12-26(13-15-27)21(29)18-8-9-19-20(16-18)25-23(33)28(22(19)30)11-10-17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3,(H,25,33)