4-[2-[[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[4-(4-ethoxyphenyl)-5-methyl-2-thiazolyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[(5-methyl-4-p-phenetyl-thiazol-2-yl)amino]ethyl]thio]-3-nitro-benzamide Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N4O5S2/c1-3-30-15-7-4-13(5-8-15)19-12(2)32-21(24-19)23-18(26)11-31-17-9-6-14(20(22)27)10-16(17)25(28)29/h4-10H,3,11H2,1-2H3,(H2,22,27)(H,23,24,26)