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

Systemtic Name: ethyl 3-methyl-5-[(phenylmethyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(benzylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylcarbamothioylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(benzylthiocarbamoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NCC2=CC=CC=C2)C

InChI

InChI=1S/C16H18N2O2S2/c1-3-20-15(19)14-11(2)9-13(22-14)18-16(21)17-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H2,17,18,21)