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

Systemtic Name: 1-[[4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carbonyl]-4-(1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazolin-7-yl]methyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[4-keto-3-[3-(2-ketopyrrolidino)propyl]-2-thioxo-1H-quinazoline-7-carbonyl]-4-piperidino-isonipecotamide Formula: C27H36N6O4S MolecularWeight: 540.67754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCN5CCCC5=O)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2(CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCCN5CCCC5=O)C(=O)N

InChI

InChI=1S/C27H36N6O4S/c28-25(37)27(32-13-2-1-3-14-32)9-16-31(17-10-27)23(35)19-7-8-20-21(18-19)29-26(38)33(24(20)36)15-5-12-30-11-4-6-22(30)34/h7-8,18H,1-6,9-17H2,(H2,28,37)(H,29,38)