[1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [1-(1,4-dithiepan-6-yl)-3-piperidyl]-(3-isopropoxyphenyl)methanone CAS Name: [1-(1,4-dithiepan-6-yl)-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [1-(1,4-dithiepan-6-yl)-3-piperidyl]-(3-isopropoxyphenyl)methanone Formula: C20H29NO2S2 MolecularWeight: 379.57976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C3CSCCSC3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C3CSCCSC3

InChI

InChI=1S/C20H29NO2S2/c1-15(2)23-19-7-3-5-16(11-19)20(22)17-6-4-8-21(12-17)18-13-24-9-10-25-14-18/h3,5,7,11,15,17-18H,4,6,8-10,12-14H2,1-2H3