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

Systemtic Name: 7-(4-methoxyphenyl)-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane Openeye Name: 7-(4-methoxyphenyl)-4-[4-(4-pyridyl)butyl]-1,4-thiazepane CAS Name: 7-(4-methoxyphenyl)-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane IUPAC Name: 7-(4-methoxyphenyl)-4-(4-pyridin-4-ylbutyl)-1,4-thiazepane Traditional Name: 7-(4-methoxyphenyl)-4-[4-(4-pyridyl)butyl]-1,4-thiazepane Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCN(CCS2)CCCCC3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCN(CCS2)CCCCC3=CC=NC=C3

InChI

InChI=1S/C21H28N2OS/c1-24-20-7-5-19(6-8-20)21-11-15-23(16-17-25-21)14-3-2-4-18-9-12-22-13-10-18/h5-10,12-13,21H,2-4,11,14-17H2,1H3