N-(2-dimethylaminoethyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]oxy-N-methyl-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]oxy-N-methyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-[[1-(1,4-dithiepan-6-yl)-4-piperidyl]oxy]-N-methyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-3-[[1-(1,4-dithiepan-6-yl)-4-piperidinyl]oxy]-N-methylbenzamide IUPAC Name: N-(2-dimethylaminoethyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]oxy-N-methylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-3-[[1-(1,4-dithiepan-6-yl)-4-piperidyl]oxy]-N-methyl-benzamide Formula: C22H35N3O2S2 MolecularWeight: 437.6622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C)C(=O)C1=CC(=CC=C1)OC2CCN(CC2)C3CSCCSC3

Isomeric SMILES

CN(C)CCN(C)C(=O)C1=CC(=CC=C1)OC2CCN(CC2)C3CSCCSC3

InChI

InChI=1S/C22H35N3O2S2/c1-23(2)11-12-24(3)22(26)18-5-4-6-21(15-18)27-20-7-9-25(10-8-20)19-16-28-13-14-29-17-19/h4-6,15,19-20H,7-14,16-17H2,1-3H3