methyl 3-[(4-pentylphenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-pentylphenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-pentylbenzoyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[[oxo-(4-pentylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-pentylbenzoyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(4-amylbenzoyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C19H22N2O3S2/c1-3-4-5-6-13-7-9-14(10-8-13)17(22)21-19(25)20-15-11-12-26-16(15)18(23)24-2/h7-12H,3-6H2,1-2H3,(H2,20,21,22,25)