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

Systemtic Name: 5-bromanyl-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]ethyl]thiophene-2-carboxamide Formula: C20H23BrN4OS2 MolecularWeight: 479.45682

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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(S4)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(S4)Br)C

InChI

InChI=1S/C20H23BrN4OS2/c1-13-3-4-15-18(14(13)2)23-20(28-15)25-11-9-24(10-12-25)8-7-22-19(26)16-5-6-17(21)27-16/h3-6H,7-12H2,1-2H3,(H,22,26)