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

Systemtic Name: 1-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperidine-4-carboxamide Openeye Name: 1-(3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide CAS Name: 1-[(3-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carbonyl)isonipecotamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)NC1=S

InChI

InChI=1S/C16H18N4O3S/c1-19-15(23)11-3-2-10(8-12(11)18-16(19)24)14(22)20-6-4-9(5-7-20)13(17)21/h2-3,8-9H,4-7H2,1H3,(H2,17,21)(H,18,24)