1-methyl-4-[(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]azepane

Systemtic Name: 1-methyl-4-[(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]azepane Openeye Name: 1-methyl-4-[(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]azepane CAS Name: 1-methyl-4-[(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]azepane IUPAC Name: 1-methyl-4-[(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]azepane Traditional Name: 1-methyl-4-[(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]azepane Formula: C22H27NOS MolecularWeight: 353.52088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2OC4CCCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2OC4CCCN(CC4)C

InChI

InChI=1S/C22H27NOS/c1-16-9-10-21-20(14-16)22(19-8-4-3-6-17(19)15-25-21)24-18-7-5-12-23(2)13-11-18/h3-4,6,8-10,14,18,22H,5,7,11-13,15H2,1-2H3