N-[2-[(2-azanyl-5-chloranyl-phenyl)-cyclohexyl-methyl]sulfanylethyl]pyridine-3-carboxamide

Systemtic Name: N-[2-[(2-azanyl-5-chloranyl-phenyl)-cyclohexyl-methyl]sulfanylethyl]pyridine-3-carboxamide Openeye Name: N-[2-[(2-amino-5-chloro-phenyl)-cyclohexyl-methyl]sulfanylethyl]pyridine-3-carboxamide CAS Name: N-[2-[[(2-amino-5-chlorophenyl)-cyclohexylmethyl]thio]ethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[(2-amino-5-chlorophenyl)-cyclohexylmethyl]sulfanylethyl]pyridine-3-carboxamide Traditional Name: N-[2-[[(2-amino-5-chloro-phenyl)-cyclohexyl-methyl]thio]ethyl]nicotinamide 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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3OS/c22-17-8-9-19(23)18(13-17)20(15-5-2-1-3-6-15)27-12-11-25-21(26)16-7-4-10-24-14-16/h4,7-10,13-15,20H,1-3,5-6,11-12,23H2,(H,25,26)