3-azanyl-5-(3-methylbutyl)-4-(phenylcarbonyl)benzenecarbothioic S-acid

Systemtic Name: 3-azanyl-5-(3-methylbutyl)-4-(phenylcarbonyl)benzenecarbothioic S-acid Openeye Name: 3-amino-4-benzoyl-5-isopentyl-benzenecarbothioic S-acid CAS Name: 3-amino-4-benzoyl-5-(3-methylbutyl)benzenecarbothioic S-acid IUPAC Name: 3-amino-4-benzoyl-5-(3-methylbutyl)benzenecarbothioic S-acid Traditional Name: 3-amino-4-benzoyl-5-isoamyl-thiobenzoic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C(=CC(=C1)C(=O)S)N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCC1=C(C(=CC(=C1)C(=O)S)N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO2S/c1-12(2)8-9-14-10-15(19(22)23)11-16(20)17(14)18(21)13-6-4-3-5-7-13/h3-7,10-12H,8-9,20H2,1-2H3,(H,22,23)