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

Systemtic Name: methyl 5-ethyl-2-[(4-methylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(p-tolylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-methylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-methylbenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CC=C(C=C2)C)C(=O)OC

InChI

InChI=1S/C17H20N2O2S2/c1-4-13-9-14(16(20)21-3)15(23-13)19-17(22)18-10-12-7-5-11(2)6-8-12/h5-9H,4,10H2,1-3H3,(H2,18,19,22)