2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-(4-pyridylmethyl)benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-(4-pyridylmethyl)benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C22H27N3O2S/c26-21(24-14-17-6-2-1-3-7-17)16-28-20-9-5-4-8-19(20)22(27)25-15-18-10-12-23-13-11-18/h4-5,8-13,17H,1-3,6-7,14-16H2,(H,24,26)(H,25,27)