N-[2-[(2-azanyl-5-chloranyl-phenyl)-cyclohexyl-methyl]sulfanylethyl]pyridine-4-carboxamide

Systemtic Name: N-[2-[(2-azanyl-5-chloranyl-phenyl)-cyclohexyl-methyl]sulfanylethyl]pyridine-4-carboxamide Openeye Name: N-[2-[(2-amino-5-chloro-phenyl)-cyclohexyl-methyl]sulfanylethyl]pyridine-4-carboxamide CAS Name: N-[2-[[(2-amino-5-chlorophenyl)-cyclohexylmethyl]thio]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(2-amino-5-chlorophenyl)-cyclohexylmethyl]sulfanylethyl]pyridine-4-carboxamide Traditional Name: N-[2-[[(2-amino-5-chloro-phenyl)-cyclohexyl-methyl]thio]ethyl]isonicotinamide Formula: C21H26ClN3OS MolecularWeight: 403.96864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=C(C=CC(=C2)Cl)N)SCCNC(=O)C3=CC=NC=C3

Isomeric SMILES

C1CCC(CC1)C(C2=C(C=CC(=C2)Cl)N)SCCNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H26ClN3OS/c22-17-6-7-19(23)18(14-17)20(15-4-2-1-3-5-15)27-13-12-25-21(26)16-8-10-24-11-9-16/h6-11,14-15,20H,1-5,12-13,23H2,(H,25,26)