1-[[4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazolin-7-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-3-[3-(2-ketopyrrolidino)propyl]-2-thioxo-1H-quinazoline-7-carbonyl]isonipecotamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

Isomeric SMILES

C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

InChI

InChI=1S/C22H27N5O4S/c23-19(29)14-6-11-26(12-7-14)20(30)15-4-5-16-17(13-15)24-22(32)27(21(16)31)10-2-9-25-8-1-3-18(25)28/h4-5,13-14H,1-3,6-12H2,(H2,23,29)(H,24,32)