2-[4-(1,3-benzothiazol-2-yl)-2-(dimethylaminomethyl)phenoxy]-N-butyl-N-methyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)-2-(dimethylaminomethyl)phenoxy]-N-butyl-N-methyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-2-(dimethylaminomethyl)phenoxy]-N-butyl-N-methyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-2-(dimethylaminomethyl)phenoxy]-N-butyl-N-methylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)-2-(dimethylaminomethyl)phenoxy]-N-butyl-N-methylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)-2-(dimethylaminomethyl)phenoxy]-N-butyl-N-methyl-acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)CN(C)C

Isomeric SMILES

CCCCN(C)C(=O)COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)CN(C)C

InChI

InChI=1S/C23H29N3O2S/c1-5-6-13-26(4)22(27)16-28-20-12-11-17(14-18(20)15-25(2)3)23-24-19-9-7-8-10-21(19)29-23/h7-12,14H,5-6,13,15-16H2,1-4H3