3-butyl-9-methyl-4,5-dihydro-2H-1,3-benzothiazepine

Systemtic Name: 3-butyl-9-methyl-4,5-dihydro-2H-1,3-benzothiazepine Openeye Name: 3-butyl-9-methyl-4,5-dihydro-2H-1,3-benzothiazepine CAS Name: 3-butyl-9-methyl-4,5-dihydro-2H-1,3-benzothiazepine IUPAC Name: 3-butyl-9-methyl-4,5-dihydro-2H-1,3-benzothiazepine Traditional Name: 3-butyl-9-methyl-4,5-dihydro-2H-1,3-benzothiazepine Formula: C14H21NS MolecularWeight: 235.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C(=CC=C2)C)SC1

Isomeric SMILES

CCCCN1CCC2=C(C(=CC=C2)C)SC1

InChI

InChI=1S/C14H21NS/c1-3-4-9-15-10-8-13-7-5-6-12(2)14(13)16-11-15/h5-7H,3-4,8-11H2,1-2H3