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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic 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'-phenylcarbamimidothioate Traditional Name: 2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-phenyl-isothiourea Formula: C20H16N4OS2 MolecularWeight: 392.49724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC(=NC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC(=NC4=CC=CC=C4)N

InChI

InChI=1S/C20H16N4OS2/c21-20(22-14-9-5-2-6-10-14)27-12-16-23-18(25)17-15(11-26-19(17)24-16)13-7-3-1-4-8-13/h1-11H,12H2,(H2,21,22)(H,23,24,25)