4-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-7-chloranyl-2,3-dihydro-1,5-benzothiazepine Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-2,3-dihydro-1,5-benzothiazepine CAS Name: 4-[(4-tert-butylphenyl)methylthio]-7-chloro-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-7-chloro-2,3-dihydro-1,5-benzothiazepine Traditional Name: 4-[(4-tert-butylbenzyl)thio]-7-chloro-2,3-dihydro-1,5-benzothiazepine Formula: C20H22ClNS2 MolecularWeight: 375.97838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)Cl)SCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)Cl)SCC2

InChI

InChI=1S/C20H22ClNS2/c1-20(2,3)15-6-4-14(5-7-15)13-24-19-10-11-23-18-9-8-16(21)12-17(18)22-19/h4-9,12H,10-11,13H2,1-3H3