N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-piperonylamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN(C)C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN(C)C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22ClN3O3S/c1-13-5-7-15(22)19-18(13)23-21(29-19)25(10-4-9-24(2)3)20(26)14-6-8-16-17(11-14)28-12-27-16/h5-8,11H,4,9-10,12H2,1-3H3