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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CNC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

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