4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(phenylmethyl)butanamide

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide CAS Name: 4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide Traditional Name: N-benzyl-4-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butyramide Formula: C17H17N3O2S2 MolecularWeight: 359.46578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C17H17N3O2S2/c21-14(18-11-12-5-2-1-3-6-12)7-4-9-20-16(22)15-13(8-10-24-15)19-17(20)23/h1-3,5-6,8,10H,4,7,9,11H2,(H,18,21)(H,19,23)