N-[3-[(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonylamino)methyl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonylamino)methyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]amino]methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)methyl]phenyl]nicotinamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCC4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCC4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C26H21N3O2S/c30-25(20-7-4-12-27-16-20)29-21-8-3-5-17(13-21)15-28-26(31)23-14-19-11-10-18-6-1-2-9-22(18)24(19)32-23/h1-9,12-14,16H,10-11,15H2,(H,28,31)(H,29,30)