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

Systemtic Name: ethyl 4-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazolin-7-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-phenethyl-7-quinazolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C30H36N4O5S MolecularWeight: 564.69564

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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)CCC4=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)CCC4=CC=CC=C4

InChI

InChI=1S/C30H36N4O5S/c1-5-39-29(38)33-17-15-32(16-18-33)26(36)22-11-12-23-24(19-22)31-28(40-20-25(35)30(2,3)4)34(27(23)37)14-13-21-9-7-6-8-10-21/h6-12,19H,5,13-18,20H2,1-4H3