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

Systemtic Name: methyl 2-[(2-butylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-butylphenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(2-butylanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-butylphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(2-butylphenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=S)NC2=C(C=C(S2)CC)C(=O)OC

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=S)NC2=C(C=C(S2)CC)C(=O)OC

InChI

InChI=1S/C19H24N2O2S2/c1-4-6-9-13-10-7-8-11-16(13)20-19(24)21-17-15(18(22)23-3)12-14(5-2)25-17/h7-8,10-12H,4-6,9H2,1-3H3,(H2,20,21,24)