2-[4-(diethylamino)-2-(dimethylcarbamoyl)phenyl]carbothioylbenzoic acid

Systemtic Name: 2-[4-(diethylamino)-2-(dimethylcarbamoyl)phenyl]carbothioylbenzoic acid Openeye Name: 2-[4-(diethylamino)-2-(dimethylcarbamoyl)benzenecarbothioyl]benzoic acid CAS Name: 2-[[4-(diethylamino)-2-[dimethylamino(oxo)methyl]phenyl]-sulfanylidenemethyl]benzoic acid IUPAC Name: 2-[4-(diethylamino)-2-(dimethylcarbamoyl)benzenecarbothioyl]benzoic acid Traditional Name: 2-[4-(diethylamino)-2-(dimethylcarbamoyl)thiobenzoyl]benzoic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(=S)C2=CC=CC=C2C(=O)O)C(=O)N(C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C(=S)C2=CC=CC=C2C(=O)O)C(=O)N(C)C

InChI

InChI=1S/C21H24N2O3S/c1-5-23(6-2)14-11-12-16(18(13-14)20(24)22(3)4)19(27)15-9-7-8-10-17(15)21(25)26/h7-13H,5-6H2,1-4H3,(H,25,26)