2-azanyl-2-[3-(4-propan-2-ylphenyl)carbothioylphenyl]ethanoic acid

Systemtic Name: 2-azanyl-2-[3-(4-propan-2-ylphenyl)carbothioylphenyl]ethanoic acid Openeye Name: 2-amino-2-[3-(4-isopropylbenzenecarbothioyl)phenyl]acetic acid CAS Name: 2-amino-2-[3-[(4-propan-2-ylphenyl)-sulfanylidenemethyl]phenyl]acetic acid IUPAC Name: 2-amino-2-[3-(4-propan-2-ylbenzenecarbothioyl)phenyl]acetic acid Traditional Name: 2-amino-2-[3-(4-isopropylthiobenzoyl)phenyl]acetic acid Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO2S/c1-11(2)12-6-8-13(9-7-12)17(22)15-5-3-4-14(10-15)16(19)18(20)21/h3-11,16H,19H2,1-2H3,(H,20,21)