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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-chloranyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-chloro-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-chlorophenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-chlorophenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-chloro-phenyl]-2-(phenylthio)nicotinamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H25ClN4O2S/c26-21-13-8-16(23(31)29-18-11-9-17(27)10-12-18)15-22(21)30-24(32)20-7-4-14-28-25(20)33-19-5-2-1-3-6-19/h1-8,13-15,17-18H,9-12,27H2,(H,29,31)(H,30,32)