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

Systemtic Name: 1-[(4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperidine-4-carboxamide Openeye Name: 1-(4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo-(4-oxo-3-phenyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carbonyl)isonipecotamide Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c22-18(26)13-8-10-24(11-9-13)19(27)14-6-7-16-17(12-14)23-21(29)25(20(16)28)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H2,22,26)(H,23,29)