2-[1,4-diazepan-1-yl-(4-propan-2-ylphenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl-(4-propan-2-ylphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(4-isopropylphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(4-propan-2-ylphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(4-propan-2-ylphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl(p-cumenyl)methyl]-1,3-benzothiazole Formula: C22H27N3S MolecularWeight: 365.53488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C22H27N3S/c1-16(2)17-8-10-18(11-9-17)21(25-14-5-12-23-13-15-25)22-24-19-6-3-4-7-20(19)26-22/h3-4,6-11,16,21,23H,5,12-15H2,1-2H3