4-bromanyl-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Openeye Name: 4-bromo-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide CAS Name: 4-bromo-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-bromo-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Traditional Name: 4-bromo-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]ethyl]benzamide Formula: C22H25BrN4OS MolecularWeight: 473.4291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C22H25BrN4OS/c1-15-3-8-19-20(16(15)2)25-22(29-19)27-13-11-26(12-14-27)10-9-24-21(28)17-4-6-18(23)7-5-17/h3-8H,9-14H2,1-2H3,(H,24,28)