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

Systemtic Name: ethyl 2-[(5-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(5-carbamoyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(5-carbamoyl-1-ethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(5-carbamoyl-1-ethyl-pyrazol-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H23N5O3S2 MolecularWeight: 457.56902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C(=O)N

InChI

InChI=1S/C21H23N5O3S2/c1-3-26-17(18(22)27)16(12-23-26)24-21(30)25-19-15(20(28)29-4-2)11-14(31-19)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H2,22,27)(H2,24,25,30)