1-[(3-carbamothioylphenyl)methyl]-5-fluoranyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide

Systemtic Name: 1-[(3-carbamothioylphenyl)methyl]-5-fluoranyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide Openeye Name: 1-[(3-carbamothioylphenyl)methyl]-5-fluoro-N-(4-pyridylmethyl)indole-2-carboxamide CAS Name: 1-[(3-carbamothioylphenyl)methyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2-indolecarboxamide IUPAC Name: 1-[(3-carbamothioylphenyl)methyl]-5-fluoro-N-(pyridin-4-ylmethyl)indole-2-carboxamide Traditional Name: 5-fluoro-N-(4-pyridylmethyl)-1-(3-thiocarbamoylbenzyl)indole-2-carboxamide Formula: C23H19FN4OS MolecularWeight: 418.486563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)F)C=C2C(=O)NCC4=CC=NC=C4)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)F)C=C2C(=O)NCC4=CC=NC=C4)C(=S)N

InChI

InChI=1S/C23H19FN4OS/c24-19-4-5-20-18(11-19)12-21(23(29)27-13-15-6-8-26-9-7-15)28(20)14-16-2-1-3-17(10-16)22(25)30/h1-12H,13-14H2,(H2,25,30)(H,27,29)