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

Systemtic Name: methyl 2-(cyclohexylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(cyclohexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(cyclohexylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(cyclohexylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCCC3

InChI

InChI=1S/C20H24N2O2S2/c1-24-19(23)17-13-16(12-14-8-4-2-5-9-14)26-18(17)22-20(25)21-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H2,21,22,25)