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

Systemtic Name: methyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(cyclohexen-1-yl)ethylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S2/c1-25-20(24)17-14-18(16-10-6-3-7-11-16)27-19(17)23-21(26)22-13-12-15-8-4-2-5-9-15/h3,6-8,10-11,14H,2,4-5,9,12-13H2,1H3,(H2,22,23,26)