methyl 5-ethyl-2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(2-ethyl-6-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(C=C(S2)CC)C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(C=C(S2)CC)C(=O)OC)C

InChI

InChI=1S/C18H22N2O2S2/c1-5-12-9-7-8-11(3)15(12)19-18(23)20-16-14(17(21)22-4)10-13(6-2)24-16/h7-10H,5-6H2,1-4H3,(H2,19,20,23)