methyl 3-(4-aminophenyl)-2-[(2-ethyl-6-methyl-phenyl)carbothioylamino]propanoate

Systemtic Name: methyl 3-(4-aminophenyl)-2-[(2-ethyl-6-methyl-phenyl)carbothioylamino]propanoate Openeye Name: methyl 3-(4-aminophenyl)-2-[(2-ethyl-6-methyl-benzenecarbothioyl)amino]propanoate CAS Name: 3-(4-aminophenyl)-2-[[(2-ethyl-6-methylphenyl)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-aminophenyl)-2-[(2-ethyl-6-methylbenzenecarbothioyl)amino]propanoate Traditional Name: 3-(4-aminophenyl)-2-[(2-ethyl-6-methyl-thiobenzoyl)amino]propionic acid methyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1C(=S)NC(CC2=CC=C(C=C2)N)C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1C(=S)NC(CC2=CC=C(C=C2)N)C(=O)OC)C

InChI

InChI=1S/C20H24N2O2S/c1-4-15-7-5-6-13(2)18(15)19(25)22-17(20(23)24-3)12-14-8-10-16(21)11-9-14/h5-11,17H,4,12,21H2,1-3H3,(H,22,25)