2-butan-2-yl-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine

Systemtic Name: 2-butan-2-yl-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine Openeye Name: 3-methyl-5-phenyl-2-sec-butyl-2,3,4,5-tetrahydro-1,4-benzothiazepine CAS Name: 2-butan-2-yl-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine IUPAC Name: 2-butan-2-yl-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine Traditional Name: 3-methyl-5-phenyl-2-sec-butyl-2,3,4,5-tetrahydro-1,4-benzothiazepine Formula: C20H25NS MolecularWeight: 311.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(NC(C2=CC=CC=C2S1)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C)C1C(NC(C2=CC=CC=C2S1)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25NS/c1-4-14(2)20-15(3)21-19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)22-20/h5-15,19-21H,4H2,1-3H3