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

Systemtic Name: N-[3-(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonylamino)phenyl]pyridine-3-carboxamide Openeye Name: N-[3-(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]amino]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)phenyl]pyridine-3-carboxamide Traditional Name: N-[3-(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)phenyl]nicotinamide Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H19N3O2S/c29-24(18-6-4-12-26-15-18)27-19-7-3-8-20(14-19)28-25(30)22-13-17-11-10-16-5-1-2-9-21(16)23(17)31-22/h1-9,12-15H,10-11H2,(H,27,29)(H,28,30)