2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1-benzyl-2-oxo-propyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-N-[(1S)-1-benzyl-2-keto-propyl]acetamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H28N4O2S/c1-18(29)21(15-19-7-3-2-4-8-19)25-23(30)16-27-11-13-28(14-12-27)17-24-26-20-9-5-6-10-22(20)31-24/h2-10,21H,11-17H2,1H3,(H,25,30)/t21-/m0/s1