(5-bromanylthiophen-2-yl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (5-bromanylthiophen-2-yl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (5-bromo-2-thienyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (5-bromo-2-thiophenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (5-bromothiophen-2-yl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (5-bromo-2-thienyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C18H18BrN3OS2 MolecularWeight: 436.38902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3OS2/c1-11-3-4-13-16(12(11)2)20-18(25-13)22-9-7-21(8-10-22)17(23)14-5-6-15(19)24-14/h3-6H,7-10H2,1-2H3