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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S2/c1-4-11(2)12-5-7-13(8-6-12)18-17(22)19-14-9-10-23-15(14)16(20)21-3/h5-11H,4H2,1-3H3,(H2,18,19,22)