1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-chlorophenyl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-chlorophenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-chlorophenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-chlorophenyl)thio]-1-butanone IUPAC Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-chlorophenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-4-[(4-chlorophenyl)thio]butan-1-one Formula: C21H21BrClN3OS2 MolecularWeight: 510.89794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21BrClN3OS2/c22-15-3-8-18-19(14-15)29-21(24-18)26-11-9-25(10-12-26)20(27)2-1-13-28-17-6-4-16(23)5-7-17/h3-8,14H,1-2,9-13H2