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

Systemtic Name: (4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 3-isobutyl-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea CAS Name: N'-(2-methylpropyl)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'-(2-methylpropyl)carbamimidothioate Traditional Name: 3-isobutyl-2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isothiourea Formula: C16H18N4OS3 MolecularWeight: 378.53532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN=C(N)SCC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1

Isomeric SMILES

CC(C)CN=C(N)SCC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1

InChI

InChI=1S/C16H18N4OS3/c1-9(2)6-18-16(17)24-8-12-19-14(21)13-10(7-23-15(13)20-12)11-4-3-5-22-11/h3-5,7,9H,6,8H2,1-2H3,(H2,17,18)(H,19,20,21)