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

Systemtic Name: 1-[(4-carbamothioylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 1-[(4-carbamothioylphenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(4-carbamothioylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 1-[(4-carbamothioylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 1-(4-thiocarbamoylbenzyl)indole-2-carboxylic acid Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2CC3=CC=C(C=C3)C(=S)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2CC3=CC=C(C=C3)C(=S)N)C(=O)O

InChI

InChI=1S/C17H14N2O2S/c18-16(22)12-7-5-11(6-8-12)10-19-14-4-2-1-3-13(14)9-15(19)17(20)21/h1-9H,10H2,(H2,18,22)(H,20,21)