N-(1,3-benzothiazol-2-ylmethyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(2S)-2-(4-methoxyphenyl)-1-azepanyl]-N-methylacetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-acetamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CN3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CN3CCCCC[C@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N3O2S/c1-26(16-23-25-20-8-5-6-10-22(20)30-23)24(28)17-27-15-7-3-4-9-21(27)18-11-13-19(29-2)14-12-18/h5-6,8,10-14,21H,3-4,7,9,15-17H2,1-2H3/t21-/m0/s1