methyl 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N4O2S2/c1-4-25-13-16(14(2)24-25)12-22-21(28)23-19-18(20(26)27-3)11-17(29-19)10-15-8-6-5-7-9-15/h5-9,11,13H,4,10,12H2,1-3H3,(H2,22,23,28)