(E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(5-bromanyl-2-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(5-bromanyl-2-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(5-bromo-2-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-(5-bromo-2-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(5-bromo-2-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-(5-bromo-2-methoxy-phenyl)prop-2-en-1-one Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22BrN3O2S/c1-28-19-8-7-17(23)14-16(19)6-9-22(27)26-12-10-25(11-13-26)15-21-24-18-4-2-3-5-20(18)29-21/h2-9,14H,10-13,15H2,1H3/b9-6+