3-azanyl-5-(3-methylbutylsulfanyl)-4-phenyl-benzoic acid

Systemtic Name: 3-azanyl-5-(3-methylbutylsulfanyl)-4-phenyl-benzoic acid Openeye Name: 3-amino-5-isopentylsulfanyl-4-phenyl-benzoic acid CAS Name: 3-amino-5-(3-methylbutylthio)-4-phenylbenzoic acid IUPAC Name: 3-amino-5-(3-methylbutylsulfanyl)-4-phenylbenzoic acid Traditional Name: 3-amino-5-(isoamylthio)-4-phenyl-benzoic acid Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC(=CC(=C1C2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CC(C)CCSC1=CC(=CC(=C1C2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C18H21NO2S/c1-12(2)8-9-22-16-11-14(18(20)21)10-15(19)17(16)13-6-4-3-5-7-13/h3-7,10-12H,8-9,19H2,1-2H3,(H,20,21)