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

Systemtic Name: methyl 2-(pentylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(pentylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(pentylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(pentylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(amylthiocarbamoylamino)-5-benzyl-thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2S2/c1-3-4-8-11-20-19(24)21-17-16(18(22)23-2)13-15(25-17)12-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H2,20,21,24)