2-methyl-3-nitro-N-[2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide Openeye Name: N-[2-[2-(allylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[2-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-4-phenyl-5-thiazolyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[2-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]benzamide Traditional Name: N-[2-[[2-(allylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]-2-methyl-3-nitro-benzamide Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(N=C(S2)SCC(=O)NCC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(N=C(S2)SCC(=O)NCC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H20N4O4S2/c1-3-12-23-18(27)13-31-22-24-19(15-8-5-4-6-9-15)21(32-22)25-20(28)16-10-7-11-17(14(16)2)26(29)30/h3-11H,1,12-13H2,2H3,(H,23,27)(H,25,28)