N-[2-[(2-azanyl-5-chloranyl-phenyl)-cyclohexyl-methyl]sulfanylethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[(2-azanyl-5-chloranyl-phenyl)-cyclohexyl-methyl]sulfanylethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[(2-amino-5-chloro-phenyl)-cyclohexyl-methyl]sulfanylethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[(2-amino-5-chlorophenyl)-cyclohexylmethyl]thio]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[(2-amino-5-chlorophenyl)-cyclohexylmethyl]sulfanylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[(2-amino-5-chloro-phenyl)-cyclohexyl-methyl]thio]ethyl]-piperonylamide Formula: C23H27ClN2O3S MolecularWeight: 446.99008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=C(C=CC(=C2)Cl)N)SCCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)C(C2=C(C=CC(=C2)Cl)N)SCCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27ClN2O3S/c24-17-7-8-19(25)18(13-17)22(15-4-2-1-3-5-15)30-11-10-26-23(27)16-6-9-20-21(12-16)29-14-28-20/h6-9,12-13,15,22H,1-5,10-11,14,25H2,(H,26,27)