methyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[2-(cyclohexen-1-yl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CCCCC3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CCCCC3

InChI

InChI=1S/C22H26N2O2S2/c1-26-21(25)19-15-18(14-17-10-6-3-7-11-17)28-20(19)24-22(27)23-13-12-16-8-4-2-5-9-16/h3,6-8,10-11,15H,2,4-5,9,12-14H2,1H3,(H2,23,24,27)