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

Systemtic Name: 1-[[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-(3-benzyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-7-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(3-benzyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)isonipecotamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c23-19(27)15-8-10-25(11-9-15)20(28)16-6-7-17-18(12-16)24-22(30)26(21(17)29)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H2,23,27)(H,24,30)