N-(1-adamantylmethyl)-5-[3-(2-azanylethylsulfanyl)propoxy]-2-chloranyl-benzamide hydrochloride

Systemtic Name: N-(1-adamantylmethyl)-5-[3-(2-azanylethylsulfanyl)propoxy]-2-chloranyl-benzamide hydrochloride Openeye Name: N-(1-adamantylmethyl)-5-[3-(2-aminoethylsulfanyl)propoxy]-2-chloro-benzamide hydrochloride CAS Name: N-(1-adamantylmethyl)-5-[3-(2-aminoethylthio)propoxy]-2-chlorobenzamide hydrochloride IUPAC Name: N-(1-adamantylmethyl)-5-[3-(2-aminoethylsulfanyl)propoxy]-2-chlorobenzamide hydrochloride Traditional Name: N-(1-adamantylmethyl)-5-[3-(2-aminoethylthio)propoxy]-2-chloro-benzamide hydrochloride Formula: C23H34Cl2N2O2S MolecularWeight: 473.49926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33ClN2O2S.ClH/c24-21-3-2-19(28-5-1-6-29-7-4-25)11-20(21)22(27)26-15-23-12-16-8-17(13-23)10-18(9-16)14-23;/h2-3,11,16-18H,1,4-10,12-15,25H2,(H,26,27);1H