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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic 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'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isothiourea Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4OS2/c22-21(23-11-14-7-3-1-4-8-14)28-13-17-24-19(26)18-16(12-27-20(18)25-17)15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H2,22,23)(H,24,25,26)