N-[(E)-1-bromanyl-3-oxidanylidene-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)prop-1-en-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(E)-1-bromanyl-3-oxidanylidene-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-2-bromo-1-(piperidine-1-carbonyl)-2-thiazol-2-yl-vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-bromo-3-oxo-3-(1-piperidinyl)-1-(2-thiazolyl)prop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-1-bromo-3-oxo-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)prop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-2-bromo-1-(piperidine-1-carbonyl)-2-thiazol-2-yl-vinyl]-4-nitro-benzamide Formula: C18H17BrN4O4S MolecularWeight: 465.32098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=C(C2=NC=CS2)Br)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C(/C2=NC=CS2)\Br)/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN4O4S/c19-14(17-20-8-11-28-17)15(18(25)22-9-2-1-3-10-22)21-16(24)12-4-6-13(7-5-12)23(26)27/h4-8,11H,1-3,9-10H2,(H,21,24)/b15-14+