7-(4-chlorophenyl)-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane

Systemtic Name: 7-(4-chlorophenyl)-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane Openeye Name: 7-(4-chlorophenyl)-4-[4-(4-pyridyl)butyl]-1,4-thiazepane CAS Name: 7-(4-chlorophenyl)-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane IUPAC Name: 7-(4-chlorophenyl)-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane Traditional Name: 7-(4-chlorophenyl)-4-[4-(4-pyridyl)butyl]-1,4-thiazepane Formula: C20H25ClN2S MolecularWeight: 360.9439

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCSC1C2=CC=C(C=C2)Cl)CCCCC3=CC=NC=C3

Isomeric SMILES

C1CN(CCSC1C2=CC=C(C=C2)Cl)CCCCC3=CC=NC=C3

InChI

InChI=1S/C20H25ClN2S/c21-19-6-4-18(5-7-19)20-10-14-23(15-16-24-20)13-2-1-3-17-8-11-22-12-9-17/h4-9,11-12,20H,1-3,10,13-16H2