methyl 3-(4-acetamidophenyl)-2-[(2,6-dimethylphenyl)carbothioylamino]propanoate

Systemtic Name: methyl 3-(4-acetamidophenyl)-2-[(2,6-dimethylphenyl)carbothioylamino]propanoate Openeye Name: methyl 3-(4-acetamidophenyl)-2-[(2,6-dimethylbenzenecarbothioyl)amino]propanoate CAS Name: 3-(4-acetamidophenyl)-2-[[(2,6-dimethylphenyl)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-acetamidophenyl)-2-[(2,6-dimethylbenzenecarbothioyl)amino]propanoate Traditional Name: 3-(4-acetamidophenyl)-2-[(2,6-dimethylthiobenzoyl)amino]propionic acid methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=S)NC(CC2=CC=C(C=C2)NC(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=S)NC(CC2=CC=C(C=C2)NC(=O)C)C(=O)OC

InChI

InChI=1S/C21H24N2O3S/c1-13-6-5-7-14(2)19(13)20(27)23-18(21(25)26-4)12-16-8-10-17(11-9-16)22-15(3)24/h5-11,18H,12H2,1-4H3,(H,22,24)(H,23,27)