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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(N=C(S2)SCC(=O)NC3CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(N=C(S2)SCC(=O)NC3CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S2/c1-13-7-8-15(11-17(13)26(29)30)20(28)25-21-19(14-5-3-2-4-6-14)24-22(32-21)31-12-18(27)23-16-9-10-16/h2-8,11,16H,9-10,12H2,1H3,(H,23,27)(H,25,28)