3-hexan-2-yl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine hydrochloride

Systemtic Name: 3-hexan-2-yl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine hydrochloride Openeye Name: 3-(1-methylpentyl)-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine hydrochloride CAS Name: 3-hexan-2-yl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine hydrochloride IUPAC Name: 3-hexan-2-yl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine hydrochloride Traditional Name: 3-(1-methylpentyl)-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine hydrochloride Formula: C21H28ClNS MolecularWeight: 361.97172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1CSC2=CC=CC=C2C(N1)C3=CC=CC=C3.Cl

Isomeric SMILES

CCCCC(C)C1CSC2=CC=CC=C2C(N1)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H27NS.ClH/c1-3-4-10-16(2)19-15-23-20-14-9-8-13-18(20)21(22-19)17-11-6-5-7-12-17;/h5-9,11-14,16,19,21-22H,3-4,10,15H2,1-2H3;1H