1-[3-cyclohexyl-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-cyclohexyl-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-cyclohexyl-4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-cyclohexyl-4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-cyclohexyl-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-cyclohexyl-4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]quinazoline-7-carbonyl]isonipecotamide Formula: C27H35N5O4S MolecularWeight: 525.6629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC(=O)N5CCCC5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC(=O)N5CCCC5

InChI

InChI=1S/C27H35N5O4S/c28-24(34)18-10-14-31(15-11-18)25(35)19-8-9-21-22(16-19)29-27(37-17-23(33)30-12-4-5-13-30)32(26(21)36)20-6-2-1-3-7-20/h8-9,16,18,20H,1-7,10-15,17H2,(H2,28,34)