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

Systemtic Name: N-[2-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-[2-(ethylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-[[2-(ethylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-[2-(ethylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-[[2-(ethylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]-2-methyl-3-nitro-benzamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NC(=C(S1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)CSC1=NC(=C(S1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4S2/c1-3-22-17(26)12-30-21-23-18(14-8-5-4-6-9-14)20(31-21)24-19(27)15-10-7-11-16(13(15)2)25(28)29/h4-11H,3,12H2,1-2H3,(H,22,26)(H,24,27)