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

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidino]-3-(2-nitrophenyl)prop-2-en-1-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O3S/c25-20(10-9-15-5-1-3-7-18(15)24(26)27)23-13-11-16(12-14-23)21-22-17-6-2-4-8-19(17)28-21/h1-10,16H,11-14H2/b10-9+