N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]propanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)-3-piperidyl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)-3-piperidinyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[1-(1,4-dithiepan-6-yl)-3-piperidyl]propionamide Formula: C22H34N2O3S2 MolecularWeight: 438.64696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCCN(C2)C3CSCCSC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CCC2CCCN(C2)C3CSCCSC3)OC

InChI

InChI=1S/C22H34N2O3S2/c1-26-20-7-6-18(21(12-20)27-2)13-23-22(25)8-5-17-4-3-9-24(14-17)19-15-28-10-11-29-16-19/h6-7,12,17,19H,3-5,8-11,13-16H2,1-2H3,(H,23,25)