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

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

C1CC(CN(C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O3S/c25-20(11-10-15-5-3-7-17(13-15)24(26)27)23-12-4-6-16(14-23)21-22-18-8-1-2-9-19(18)28-21/h1-3,5,7-11,13,16H,4,6,12,14H2/b11-10+