4-(4-bromophenyl)sulfanyl-3-(propanoylamino)benzoic acid

Systemtic Name: 4-(4-bromophenyl)sulfanyl-3-(propanoylamino)benzoic acid Openeye Name: 4-(4-bromophenyl)sulfanyl-3-(propanoylamino)benzoic acid CAS Name: 4-[(4-bromophenyl)thio]-3-(1-oxopropylamino)benzoic acid IUPAC Name: 4-(4-bromophenyl)sulfanyl-3-(propanoylamino)benzoic acid Traditional Name: 4-[(4-bromophenyl)thio]-3-propionamido-benzoic acid Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)Br

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H14BrNO3S/c1-2-15(19)18-13-9-10(16(20)21)3-8-14(13)22-12-6-4-11(17)5-7-12/h3-9H,2H2,1H3,(H,18,19)(H,20,21)