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

Systemtic Name: 2-[4-[2-(4-methylphenyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[2-(p-tolyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[2-(4-methylphenyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 2-[4-[2-(4-methylphenyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[2-(p-tolyl)ethyl]-1,4-diazepan-1-yl]-1,3-benzothiazole Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCN2CCCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)CCN2CCCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3S/c1-17-7-9-18(10-8-17)11-14-23-12-4-13-24(16-15-23)21-22-19-5-2-3-6-20(19)25-21/h2-3,5-10H,4,11-16H2,1H3