ethyl 4-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenyl-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenyl-7-quinazolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenylquinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenyl-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H32N4O5S MolecularWeight: 536.64248

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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(=N3)SCC(=O)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O5S/c1-5-37-27(36)31-15-13-30(14-16-31)24(34)19-11-12-21-22(17-19)29-26(38-18-23(33)28(2,3)4)32(25(21)35)20-9-7-6-8-10-20/h6-12,17H,5,13-16,18H2,1-4H3