methyl 4,5-dimethyl-2-(2-phenylethanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(2-phenylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(2-phenylacetyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(2-phenylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(2-phenylacetyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C17H18N2O3S2/c1-10-11(2)24-15(14(10)16(21)22-3)19-17(23)18-13(20)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H2,18,19,20,23)