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1-[(3-carbamothioylphenyl)methyl]indole-2,3-dicarboxylic acid

1-[(3-carbamothioylphenyl)methyl]indole-2,3-dicarboxylic acid

Systemtic Name:1-[(3-carbamothioylphenyl)methyl]indole-2,3-dicarboxylic acid
Openeye Name:1-[(3-carbamothioylphenyl)methyl]indole-2,3-dicarboxylic acid
CAS Name:1-[(3-carbamothioylphenyl)methyl]indole-2,3-dicarboxylic acid
IUPAC Name:1-[(3-carbamothioylphenyl)methyl]indole-2,3-dicarboxylic acid
Traditional Name:1-(3-thiocarbamoylbenzyl)indole-2,3-dicarboxylic acid
Formula: C18H14N2O4S
MolecularWeight: 354.37976
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H14N2O4S/c19-16(25)11-5-3-4-10(8-11)9-20-13-7-2-1-6-12(13)14(17(21)22)15(20)18(23)24/h1-8H,9H2,(H2,19,25)(H,21,22)(H,23,24)


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