N-[4-[5-[(4-azanylcyclohexyl)carbamoyl]furan-2-yl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[5-[(4-azanylcyclohexyl)carbamoyl]furan-2-yl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-[5-[(4-aminocyclohexyl)carbamoyl]-2-furyl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-furanyl]phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[5-[(4-aminocyclohexyl)carbamoyl]furan-2-yl]phenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-[5-[(4-aminocyclohexyl)carbamoyl]-2-furyl]phenyl]-2-(phenylthio)nicotinamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)NC(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)NC(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3S/c30-20-10-14-22(15-11-20)33-28(35)26-17-16-25(36-26)19-8-12-21(13-9-19)32-27(34)24-7-4-18-31-29(24)37-23-5-2-1-3-6-23/h1-9,12-13,16-18,20,22H,10-11,14-15,30H2,(H,32,34)(H,33,35)