3-(4-acetamidophenyl)-2-[(2,6-dimethylphenyl)carbothioylamino]propanoic acid

Systemtic Name: 3-(4-acetamidophenyl)-2-[(2,6-dimethylphenyl)carbothioylamino]propanoic acid Openeye Name: 3-(4-acetamidophenyl)-2-[(2,6-dimethylbenzenecarbothioyl)amino]propanoic acid CAS Name: 3-(4-acetamidophenyl)-2-[[(2,6-dimethylphenyl)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-(4-acetamidophenyl)-2-[(2,6-dimethylbenzenecarbothioyl)amino]propanoic acid Traditional Name: 3-(4-acetamidophenyl)-2-[(2,6-dimethylthiobenzoyl)amino]propionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-12-5-4-6-13(2)18(12)19(26)22-17(20(24)25)11-15-7-9-16(10-8-15)21-14(3)23/h4-10,17H,11H2,1-3H3,(H,21,23)(H,22,26)(H,24,25)