methyl 3-[(phenylmethyl)carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(phenylmethyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-(benzylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(benzylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-(benzylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C14H14N2O2S2 MolecularWeight: 306.40316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NCC2=CC=CC=C2

InChI

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