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

Systemtic Name: (4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 3-(m-tolyl)-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic 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'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-3-(m-tolyl)isothiourea Formula: C19H16N4OS3 MolecularWeight: 412.55154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C19H16N4OS3/c1-11-4-2-5-12(8-11)21-19(20)27-10-15-22-17(24)16-13(9-26-18(16)23-15)14-6-3-7-25-14/h2-9H,10H2,1H3,(H2,20,21)(H,22,23,24)