N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethoxy-benzamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethoxy-benzamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethoxy-benzamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethoxybenzamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethoxybenzamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethoxy-benzamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

InChI

InChI=1S/C22H26ClN3O3S/c1-5-29-16-9-7-15(8-10-16)21(27)26(14-6-13-25(2)3)22-24-19-18(28-4)12-11-17(23)20(19)30-22/h7-12H,5-6,13-14H2,1-4H3