2-[2-azanyl-3-(4-butylphenyl)carbothioyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-azanyl-3-(4-butylphenyl)carbothioyl-phenyl]ethanoic acid Openeye Name: 2-[2-amino-3-(4-butylbenzenecarbothioyl)phenyl]acetic acid CAS Name: 2-[2-amino-3-[(4-butylphenyl)-sulfanylidenemethyl]phenyl]acetic acid IUPAC Name: 2-[2-amino-3-(4-butylbenzenecarbothioyl)phenyl]acetic acid Traditional Name: 2-[2-amino-3-(4-butylthiobenzoyl)phenyl]acetic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=S)C2=C(C(=CC=C2)CC(=O)O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=S)C2=C(C(=CC=C2)CC(=O)O)N

InChI

InChI=1S/C19H21NO2S/c1-2-3-5-13-8-10-14(11-9-13)19(23)16-7-4-6-15(18(16)20)12-17(21)22/h4,6-11H,2-3,5,12,20H2,1H3,(H,21,22)