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

Systemtic Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-cyano-benzamide Openeye Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-cyano-benzamide CAS Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-3-cyanobenzamide IUPAC Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-cyanobenzamide Traditional Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-3-cyano-benzamide Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C27H25N5OS/c28-19-21-4-3-5-22(18-21)27(33)29-23-10-8-20(9-11-23)12-13-31-14-16-32(17-15-31)26-24-6-1-2-7-25(24)34-30-26/h1-11,18H,12-17H2,(H,29,33)