2-[4-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Formula: C24H31N3S MolecularWeight: 393.58804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCN2CCCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCN2CCCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H31N3S/c1-24(2,3)20-11-9-19(10-12-20)13-16-26-14-6-15-27(18-17-26)23-25-21-7-4-5-8-22(21)28-23/h4-5,7-12H,6,13-18H2,1-3H3