(E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-(3-bromophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-(3-bromophenyl)prop-2-en-1-one Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H20BrN3OS/c22-17-5-3-4-16(14-17)8-9-21(26)25-12-10-24(11-13-25)15-20-23-18-6-1-2-7-19(18)27-20/h1-9,14H,10-13,15H2/b9-8+