methyl 2-[4-(phenethylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(phenethylcarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-(phenethylcarbamothioylamino)phenyl]acetate CAS Name: 2-[4-[[(phenethylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(phenethylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-(phenethylthiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O2S/c1-22-17(21)13-15-7-9-16(10-8-15)20-18(23)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,19,20,23)