methyl 2-(ethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(ethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(ethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(ethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(ethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

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