3-(phenylmethyl)-7-(2-piperidin-4-ylethylsulfanyl)-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-(phenylmethyl)-7-(2-piperidin-4-ylethylsulfanyl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-benzyl-7-[2-(4-piperidyl)ethylsulfanyl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-(phenylmethyl)-7-[2-(4-piperidinyl)ethylthio]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-benzyl-7-(2-piperidin-4-ylethylsulfanyl)-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-benzyl-7-[2-(4-piperidyl)ethylthio]-1,2,4,5-tetrahydro-3-benzazepine Formula: C24H32N2S MolecularWeight: 380.58928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCSC2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CNCCC1CCSC2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C24H32N2S/c1-2-4-21(5-3-1)19-26-15-10-22-6-7-24(18-23(22)11-16-26)27-17-12-20-8-13-25-14-9-20/h1-7,18,20,25H,8-17,19H2