4-[2-[(4-methylphenyl)carbothioylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(4-methylphenyl)carbothioylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(4-methylbenzenecarbothioyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(4-methylphenyl)-sulfanylidenemethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(4-methylbenzenecarbothioyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(4-methylthiobenzoyl)amino]phenoxy]phthalic acid Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)NC2=CC=CC=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)NC2=CC=CC=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H17NO5S/c1-13-6-8-14(9-7-13)20(29)23-18-4-2-3-5-19(18)28-15-10-11-16(21(24)25)17(12-15)22(26)27/h2-12H,1H3,(H,23,29)(H,24,25)(H,26,27)