2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C22H33N3O3S/c26-21(24-16-18-6-2-1-3-7-18)17-29-20-9-5-4-8-19(20)22(27)23-10-11-25-12-14-28-15-13-25/h4-5,8-9,18H,1-3,6-7,10-17H2,(H,23,27)(H,24,26)/p+1