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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3OS/c22-17-8-5-16(6-9-17)7-10-21(26)25-13-11-24(12-14-25)15-20-23-18-3-1-2-4-19(18)27-20/h1-10H,11-15H2/b10-7+