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

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperazino]-3-(4-nitrophenyl)prop-2-en-1-one Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3S/c25-19(10-7-15-5-8-16(9-6-15)24(26)27)22-11-13-23(14-12-22)20-21-17-3-1-2-4-18(17)28-20/h1-10H,11-14H2/b10-7+