methyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(4-sec-butylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-sec-butylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)C)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)C)C(=O)OC

InChI

InChI=1S/C18H22N2O2S2/c1-5-11(2)13-6-8-14(9-7-13)19-18(23)20-16-15(17(21)22-4)10-12(3)24-16/h6-11H,5H2,1-4H3,(H2,19,20,23)