methyl 5-(phenylmethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)amino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1,3,5-trimethylpyrazol-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H22N4O2S2/c1-12-17(13(2)24(3)23-12)21-20(27)22-18-16(19(25)26-4)11-15(28-18)10-14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3,(H2,21,22,27)