N-(1,3-benzodioxol-5-yl)-4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butyramide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCN3C(=O)C4=C(C=CS4)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCN3C(=O)C4=C(C=CS4)NC3=S

InChI

InChI=1S/C17H15N3O4S2/c21-14(18-10-3-4-12-13(8-10)24-9-23-12)2-1-6-20-16(22)15-11(5-7-26-15)19-17(20)25/h3-5,7-8H,1-2,6,9H2,(H,18,21)(H,19,25)