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

Systemtic Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide Openeye Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidyl]-N-(4-methoxy-2-methyl-phenyl)propanamide CAS Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidinyl]-N-(4-methoxy-2-methylphenyl)propanamide IUPAC Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide Traditional Name: 3-[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidyl]-N-(4-methoxy-2-methyl-phenyl)propionamide Formula: C21H32N2O2S2 MolecularWeight: 408.62098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCCN(C2)C3CSCCSC3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCCN(C2)C3CSCCSC3

InChI

InChI=1S/C21H32N2O2S2/c1-16-12-19(25-2)6-7-20(16)22-21(24)8-5-17-4-3-9-23(13-17)18-14-26-10-11-27-15-18/h6-7,12,17-18H,3-5,8-11,13-15H2,1-2H3,(H,22,24)/t17-/m1/s1