N-(1-adamantylmethyl)-2-chloranyl-5-[[2-(2-hydroxyethylsulfanyl)ethylamino]methyl]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[[2-(2-hydroxyethylsulfanyl)ethylamino]methyl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[[2-(2-hydroxyethylsulfanyl)ethylamino]methyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[[2-(2-hydroxyethylthio)ethylamino]methyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[[2-(2-hydroxyethylsulfanyl)ethylamino]methyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[[2-(2-hydroxyethylthio)ethylamino]methyl]benzamide Formula: C23H33ClN2O2S MolecularWeight: 437.03832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CNCCSCCO)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CNCCSCCO)Cl

InChI

InChI=1S/C23H33ClN2O2S/c24-21-2-1-16(14-25-3-5-29-6-4-27)10-20(21)22(28)26-15-23-11-17-7-18(12-23)9-19(8-17)13-23/h1-2,10,17-19,25,27H,3-9,11-15H2,(H,26,28)