1-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine

Systemtic Name: 1-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[1-(1,4-dithiepan-6-yl)-3-piperidyl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[1-(1,4-dithiepan-6-yl)-3-piperidinyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[1-(1,4-dithiepan-6-yl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[1-(1,4-dithiepan-6-yl)-3-piperidyl]-4-(2-methoxyphenyl)piperazine Formula: C21H33N3OS2 MolecularWeight: 407.63622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C4CSCCSC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C4CSCCSC4

InChI

InChI=1S/C21H33N3OS2/c1-25-21-7-3-2-6-20(21)23-11-9-22(10-12-23)18-5-4-8-24(15-18)19-16-26-13-14-27-17-19/h2-3,6-7,18-19H,4-5,8-17H2,1H3