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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic 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'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isothiourea Formula: C17H16N4OS2 MolecularWeight: 356.46514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4OS2/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/h2-7,9H,1,8,10H2,(H2,18,19)(H,20,21,22)