methyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(2-furoyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H23N3O4S2 MolecularWeight: 469.57642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H23N3O4S2/c1-29-22(28)18-15-17(14-16-6-3-2-4-7-16)32-20(18)24-23(31)26-11-9-25(10-12-26)21(27)19-8-5-13-30-19/h2-8,13,15H,9-12,14H2,1H3,(H,24,31)