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

Systemtic Name: (4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-3-phenyl-isothiourea Formula: C18H14N4OS3 MolecularWeight: 398.52496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SCC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SCC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C18H14N4OS3/c19-18(20-11-5-2-1-3-6-11)26-10-14-21-16(23)15-12(9-25-17(15)22-14)13-7-4-8-24-13/h1-9H,10H2,(H2,19,20)(H,21,22,23)