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

Systemtic Name: N-[2-[1-(2-azanyl-5-chloranyl-phenyl)-2-methyl-propyl]sulfanylethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[1-(2-amino-5-chloro-phenyl)-2-methyl-propyl]sulfanylethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[[1-(2-amino-5-chlorophenyl)-2-methylpropyl]thio]ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[1-(2-amino-5-chlorophenyl)-2-methylpropyl]sulfanylethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[[1-(2-amino-5-chloro-phenyl)-2-methyl-propyl]thio]ethyl]-3,4-dimethoxy-benzamide Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3S/c1-13(2)20(16-12-15(22)6-7-17(16)23)28-10-9-24-21(25)14-5-8-18(26-3)19(11-14)27-4/h5-8,11-13,20H,9-10,23H2,1-4H3,(H,24,25)