1-[(3-carbamothioylphenyl)methyl]-4-oxidanyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3-carbamothioylphenyl)methyl]-4-oxidanyl-indole-2-carboxylic acid Openeye Name: 1-[(3-carbamothioylphenyl)methyl]-4-hydroxy-indole-2-carboxylic acid CAS Name: 1-[(3-carbamothioylphenyl)methyl]-4-hydroxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-carbamothioylphenyl)methyl]-4-hydroxyindole-2-carboxylic acid Traditional Name: 4-hydroxy-1-(3-thiocarbamoylbenzyl)indole-2-carboxylic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C=C2C(=O)O)C(=CC=C3)O)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C=C2C(=O)O)C(=CC=C3)O)C(=S)N

InChI

InChI=1S/C17H14N2O3S/c18-16(23)11-4-1-3-10(7-11)9-19-13-5-2-6-15(20)12(13)8-14(19)17(21)22/h1-8,20H,9H2,(H2,18,23)(H,21,22)