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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S2/c1-3-26-12-16(17(25-26)18(22)27)23-21(30)24-19-15(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)(H2,23,24,30)