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

Systemtic Name: (E)-1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[2-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[2-(1,3-benzothiazol-2-yl)piperidino]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O3S/c25-20(12-11-15-6-5-7-16(14-15)24(26)27)23-13-4-3-9-18(23)21-22-17-8-1-2-10-19(17)28-21/h1-2,5-8,10-12,14,18H,3-4,9,13H2/b12-11+