N-[2-[2-[(4-azanylcyclohexyl)amino]-2-oxidanylidene-ethyl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[2-[(4-azanylcyclohexyl)amino]-2-oxidanylidene-ethyl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-[2-[(4-aminocyclohexyl)amino]-2-oxo-ethyl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]phenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[2-[(4-aminocyclohexyl)amino]-2-keto-ethyl]phenyl]-2-(phenylthio)nicotinamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)CC2=CC=CC=C2NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N)NC(=O)CC2=CC=CC=C2NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2S/c27-19-12-14-20(15-13-19)29-24(31)17-18-7-4-5-11-23(18)30-25(32)22-10-6-16-28-26(22)33-21-8-2-1-3-9-21/h1-11,16,19-20H,12-15,17,27H2,(H,29,31)(H,30,32)