4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyridylmethyl)butanamide CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyridylmethyl)butyramide Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H18N4O2S/c23-16(20-12-13-5-3-9-19-11-13)8-4-10-22-17(24)14-6-1-2-7-15(14)21-18(22)25/h1-3,5-7,9,11H,4,8,10,12H2,(H,20,23)(H,21,25)