N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-cyano-benzamide

Systemtic Name: N-[2-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-cyano-benzamide Openeye Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-cyano-benzamide CAS Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-4-cyanobenzamide IUPAC Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-cyanobenzamide Traditional Name: N-[2-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]ethyl]-4-cyano-benzamide Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C22H22ClN5OS/c1-15-18(23)6-7-19-20(15)26-22(30-19)28-12-10-27(11-13-28)9-8-25-21(29)17-4-2-16(14-24)3-5-17/h2-7H,8-13H2,1H3,(H,25,29)