methyl 2-(pentan-3-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(pentan-3-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(1-ethylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(pentan-3-ylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(pentan-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1-ethylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2S2/c1-4-14(5-2)20-19(24)21-17-16(18(22)23-3)12-15(25-17)11-13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3,(H2,20,21,24)