3-[3-oxidanylidene-3-(4-piperidin-1-ylcarbonylpiperidin-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-oxidanylidene-3-(4-piperidin-1-ylcarbonylpiperidin-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-oxo-3-[4-(piperidine-1-carbonyl)-1-piperidyl]propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-oxo-3-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperidin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-(piperidine-1-carbonyl)piperidino]propyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H28N4O3S/c27-19(10-15-26-21(29)17-6-2-3-7-18(17)23-22(26)30)24-13-8-16(9-14-24)20(28)25-11-4-1-5-12-25/h2-3,6-7,16H,1,4-5,8-15H2,(H,23,30)