1-[(3-carbamothioylphenyl)methyl]-5-phenylmethoxy-indole-2-carboxylic acid

Systemtic Name: 1-[(3-carbamothioylphenyl)methyl]-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-1-[(3-carbamothioylphenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(3-carbamothioylphenyl)methyl]-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-carbamothioylphenyl)methyl]-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 5-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=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC=CC(=C4)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC=CC(=C4)C(=S)N

InChI

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