(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(3-ethanoylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(3-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propanamide CAS Name: (2R)-N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]propanamide IUPAC Name: (2R)-N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propanamide Traditional Name: (2R)-N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]propionamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N4O2S/c1-16(23(29)24-19-7-5-6-18(14-19)17(2)28)27-12-10-26(11-13-27)15-22-25-20-8-3-4-9-21(20)30-22/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,29)/t16-/m1/s1