(E)-1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17BrN4O3S/c21-15-5-6-17-18(13-15)29-20(22-17)24-10-8-23(9-11-24)19(26)7-4-14-2-1-3-16(12-14)25(27)28/h1-7,12-13H,8-11H2/b7-4+