N-(5-chloranyl-2-methoxy-phenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[1-(1,4-dithiepan-6-yl)-3-piperidyl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[1-(1,4-dithiepan-6-yl)-3-piperidinyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[1-(1,4-dithiepan-6-yl)-3-piperidyl]propionamide Formula: C20H29ClN2O2S2 MolecularWeight: 429.03946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CCC2CCCN(C2)C3CSCCSC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CCC2CCCN(C2)C3CSCCSC3

InChI

InChI=1S/C20H29ClN2O2S2/c1-25-19-6-5-16(21)11-18(19)22-20(24)7-4-15-3-2-8-23(12-15)17-13-26-9-10-27-14-17/h5-6,11,15,17H,2-4,7-10,12-14H2,1H3,(H,22,24)