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

Systemtic Name: 1-[(3-carbamothioylphenyl)methyl]-4-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 4-benzyloxy-1-[(3-carbamothioylphenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(3-carbamothioylphenyl)methyl]-4-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-carbamothioylphenyl)methyl]-4-phenylmethoxyindole-2-carboxylic acid Traditional Name: 4-benzoxy-1-(3-thiocarbamoylbenzyl)indole-2-carboxylic acid Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC3=C2C=C(N3CC4=CC=CC(=C4)C(=S)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C2C=C(N3CC4=CC=CC(=C4)C(=S)N)C(=O)O

InChI

InChI=1S/C24H20N2O3S/c25-23(30)18-9-4-8-17(12-18)14-26-20-10-5-11-22(19(20)13-21(26)24(27)28)29-15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H2,25,30)(H,27,28)