1-[(3-carbamothioylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide

Systemtic Name: 1-[(3-carbamothioylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide Openeye Name: 1-[(3-carbamothioylphenyl)methyl]-N-ethyl-N-(4-pyridylmethyl)indole-2-carboxamide CAS Name: 1-[(3-carbamothioylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-2-indolecarboxamide IUPAC Name: 1-[(3-carbamothioylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide Traditional Name: N-ethyl-N-(4-pyridylmethyl)-1-(3-thiocarbamoylbenzyl)indole-2-carboxamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=S)N

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC(=C4)C(=S)N

InChI

InChI=1S/C25H24N4OS/c1-2-28(16-18-10-12-27-13-11-18)25(30)23-15-20-7-3-4-9-22(20)29(23)17-19-6-5-8-21(14-19)24(26)31/h3-15H,2,16-17H2,1H3,(H2,26,31)