methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)methylcarbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19ClN2O2S2 MolecularWeight: 382.92796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H19ClN2O2S2/c1-4-13-10(2)24-15(14(13)16(21)22-3)20-17(23)19-9-11-5-7-12(18)8-6-11/h5-8H,4,9H2,1-3H3,(H2,19,20,23)