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

Systemtic Name: N-[4-[(4-azanylcyclohexyl)carbamoyl]-3-chloranyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chloro-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-chlorophenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-3-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=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

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