methyl 3-methyl-5-[(phenylmethyl)carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[(phenylmethyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 5-(benzylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(benzylcarbamothioylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(benzylthiocarbamoylamino)-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C15H16N2O2S2 MolecularWeight: 320.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=S)NCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1)NC(=S)NCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C15H16N2O2S2/c1-10-8-12(21-13(10)14(18)19-2)17-15(20)16-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H2,16,17,20)