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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CC=CC=C2)C(=O)OC

InChI

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