methyl 2-[4-(2-thiophen-2-ylethylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(2-thiophen-2-ylethylcarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-[2-(2-thienyl)ethylcarbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[sulfanylidene-(2-thiophen-2-ylethylamino)methyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-thiophen-2-ylethylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-[2-(2-thienyl)ethylthiocarbamoylamino]phenyl]acetic acid methyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CC=CS2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CC=CS2

InChI

InChI=1S/C16H18N2O2S2/c1-20-15(19)11-12-4-6-13(7-5-12)18-16(21)17-9-8-14-3-2-10-22-14/h2-7,10H,8-9,11H2,1H3,(H2,17,18,21)