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

Systemtic Name: methyl 3-[(4-butylphenyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-butylphenyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[(4-butylanilino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-butylphenyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(4-butylphenyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C17H20N2O2S2/c1-3-4-5-12-6-8-13(9-7-12)18-17(22)19-14-10-11-23-15(14)16(20)21-2/h6-11H,3-5H2,1-2H3,(H2,18,19,22)