3,3-dibutyl-7-fluoranyl-5-phenyl-2H-1,4-benzothiazepine

Systemtic Name: 3,3-dibutyl-7-fluoranyl-5-phenyl-2H-1,4-benzothiazepine Openeye Name: 3,3-dibutyl-7-fluoro-5-phenyl-2H-1,4-benzothiazepine CAS Name: 3,3-dibutyl-7-fluoro-5-phenyl-2H-1,4-benzothiazepine IUPAC Name: 3,3-dibutyl-7-fluoro-5-phenyl-2H-1,4-benzothiazepine Traditional Name: 3,3-dibutyl-7-fluoro-5-phenyl-2H-1,4-benzothiazepine Formula: C23H28FNS MolecularWeight: 369.538523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CSC2=C(C=C(C=C2)F)C(=N1)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCC1(CSC2=C(C=C(C=C2)F)C(=N1)C3=CC=CC=C3)CCCC

InChI

InChI=1S/C23H28FNS/c1-3-5-14-23(15-6-4-2)17-26-21-13-12-19(24)16-20(21)22(25-23)18-10-8-7-9-11-18/h7-13,16H,3-6,14-15,17H2,1-2H3