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

Systemtic Name: methyl 2-(cyclooctylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(cyclooctylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(cyclooctylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(cyclooctylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(cyclooctylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCCCCC3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCCCCC3

InChI

InChI=1S/C22H28N2O2S2/c1-26-21(25)19-15-18(14-16-10-6-5-7-11-16)28-20(19)24-22(27)23-17-12-8-3-2-4-9-13-17/h5-7,10-11,15,17H,2-4,8-9,12-14H2,1H3,(H2,23,24,27)