N-[2-[1-(2-azanyl-5-chloranyl-phenyl)-3-methyl-butyl]sulfanylethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[1-(2-azanyl-5-chloranyl-phenyl)-3-methyl-butyl]sulfanylethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[1-(2-amino-5-chloro-phenyl)-3-methyl-butyl]sulfanylethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[[1-(2-amino-5-chlorophenyl)-3-methylbutyl]thio]ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[1-(2-amino-5-chlorophenyl)-3-methylbutyl]sulfanylethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[[1-(2-amino-5-chloro-phenyl)-3-methyl-butyl]thio]ethyl]-3,4-dimethoxy-benzamide Formula: C22H29ClN2O3S MolecularWeight: 436.99526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(C=CC(=C1)Cl)N)SCCNC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CC(C1=C(C=CC(=C1)Cl)N)SCCNC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H29ClN2O3S/c1-14(2)11-21(17-13-16(23)6-7-18(17)24)29-10-9-25-22(26)15-5-8-19(27-3)20(12-15)28-4/h5-8,12-14,21H,9-11,24H2,1-4H3,(H,25,26)