ethyl 4-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-7-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-benzyl-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(2-ethoxy-2-oxoethyl)thio]-4-oxo-3-(phenylmethyl)-7-quinazolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-benzyl-2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxoquinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-benzyl-2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OCC)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OCC)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O6S/c1-3-36-23(32)18-38-26-28-22-16-20(24(33)29-12-14-30(15-13-29)27(35)37-4-2)10-11-21(22)25(34)31(26)17-19-8-6-5-7-9-19/h5-11,16H,3-4,12-15,17-18H2,1-2H3