methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-butylphenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C19H24N2O2S2/c1-5-6-7-14-8-10-15(11-9-14)20-19(24)21-17-16(18(22)23-4)12(2)13(3)25-17/h8-11H,5-7H2,1-4H3,(H2,20,21,24)