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

Systemtic Name: 2-methyl-N-[2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[2-[2-(methylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]-3-nitro-benzamide CAS Name: 2-methyl-N-[2-[[2-(methylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-[[2-keto-2-(methylamino)ethyl]thio]-4-phenyl-thiazol-5-yl]-2-methyl-3-nitro-benzamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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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)NC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S2/c1-12-14(9-6-10-15(12)24(27)28)18(26)23-19-17(13-7-4-3-5-8-13)22-20(30-19)29-11-16(25)21-2/h3-10H,11H2,1-2H3,(H,21,25)(H,23,26)