(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-propylcarbamimidothioate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-propylcarbamimidothioate Openeye Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-propylcarbamimidothioate Traditional Name: 2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-propyl-isothiourea Formula: C17H18N4OS2 MolecularWeight: 358.48102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(N)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCCN=C(N)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C17H18N4OS2/c1-2-8-19-17(18)24-10-13-20-15(22)14-12(9-23-16(14)21-13)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,18,19)(H,20,21,22)