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

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(4-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]propanamide Traditional Name: (2R)-N-(4-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=C(C=C1)C(=O)C)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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