methyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate Openeye Name: methyl 4-(2-thienylmethylcarbamothioylamino)benzoate CAS Name: 4-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(thiophen-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(2-thenylthiocarbamoylamino)benzoic acid methyl ester Formula: C14H14N2O2S2 MolecularWeight: 306.40316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CS2

InChI

InChI=1S/C14H14N2O2S2/c1-18-13(17)10-4-6-11(7-5-10)16-14(19)15-9-12-3-2-8-20-12/h2-8H,9H2,1H3,(H2,15,16,19)