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

Systemtic Name: methyl 2-[(3-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S2/c1-3-25-11-15(16(24-25)17(21)26)22-20(29)23-18-14(19(27)28-2)10-13(30-18)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H2,21,26)(H2,22,23,29)