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

Systemtic Name: 1-[(3-carbamothioylphenyl)methyl]-4-methoxy-indole-2-carboxylic acid Openeye Name: 1-[(3-carbamothioylphenyl)methyl]-4-methoxy-indole-2-carboxylic acid CAS Name: 1-[(3-carbamothioylphenyl)methyl]-4-methoxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-carbamothioylphenyl)methyl]-4-methoxyindole-2-carboxylic acid Traditional Name: 4-methoxy-1-(3-thiocarbamoylbenzyl)indole-2-carboxylic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=C(N2CC3=CC=CC(=C3)C(=S)N)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1C=C(N2CC3=CC=CC(=C3)C(=S)N)C(=O)O

InChI

InChI=1S/C18H16N2O3S/c1-23-16-7-3-6-14-13(16)9-15(18(21)22)20(14)10-11-4-2-5-12(8-11)17(19)24/h2-9H,10H2,1H3,(H2,19,24)(H,21,22)