7-chloranyl-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-5H-4,1-benzothiazepin-2-one

Systemtic Name: 7-chloranyl-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-5H-4,1-benzothiazepin-2-one Openeye Name: 7-chloro-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-5H-4,1-benzothiazepin-2-one CAS Name: 7-chloro-1-(2,2-dimethylpropyl)-5-(1-naphthalenyl)-5H-4,1-benzothiazepin-2-one IUPAC Name: 7-chloro-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-5H-4,1-benzothiazepin-2-one Traditional Name: 7-chloro-5-(1-naphthyl)-1-neopentyl-5H-4,1-benzothiazepin-2-one Formula: C24H24ClNOS MolecularWeight: 409.97146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=O)CSC(C2=C1C=CC(=C2)Cl)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)CN1C(=O)CSC(C2=C1C=CC(=C2)Cl)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H24ClNOS/c1-24(2,3)15-26-21-12-11-17(25)13-20(21)23(28-14-22(26)27)19-10-6-8-16-7-4-5-9-18(16)19/h4-13,23H,14-15H2,1-3H3