2-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]-1,3-benzothiazole Formula: C21H25N3S MolecularWeight: 351.5083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C21H25N3S/c1-15-8-9-16(2)17(14-15)20(24-12-5-10-22-11-13-24)21-23-18-6-3-4-7-19(18)25-21/h3-4,6-9,14,20,22H,5,10-13H2,1-2H3