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

Systemtic Name: 1-[4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-phenyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-phenyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-phenyl-7-quinazolinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-phenyl-quinazoline-7-carbonyl]isonipecotamide Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O4S/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/h1-3,6-9,16,18H,4-5,10-15,17H2,(H2,28,34)