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

Systemtic Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(3-oxidanylidenepiperazin-1-yl)propanamide Openeye Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)propanamide CAS Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(3-oxo-1-piperazinyl)propanamide IUPAC Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)propanamide Traditional Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(3-ketopiperazino)propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)N4CCNC(=O)C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)N4CCNC(=O)C4

InChI

InChI=1S/C21H22N4O2S/c1-14(25-11-10-22-19(26)13-25)21(27)23-16-8-6-15(7-9-16)12-20-24-17-4-2-3-5-18(17)28-20/h2-9,14H,10-13H2,1H3,(H,22,26)(H,23,27)/t14-/m1/s1