N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methyl-benzamide Openeye Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methyl-benzamide CAS Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methylbenzamide Traditional Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-3-methyl-benzamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)CCN3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)CCN3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C27H28N4OS/c1-20-6-4-8-22(18-20)27(32)28-23-9-5-7-21(19-23)12-13-30-14-16-31(17-15-30)26-24-10-2-3-11-25(24)33-29-26/h2-11,18-19H,12-17H2,1H3,(H,28,32)