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

Systemtic Name: N-[2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-4-nitro-benzamide Openeye Name: N-[2-[2-(methylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]-4-nitro-benzamide CAS Name: N-[2-[[2-(methylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-4-nitrobenzamide Traditional Name: N-[2-[[2-keto-2-(methylamino)ethyl]thio]-4-phenyl-thiazol-5-yl]-4-nitro-benzamide Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4S2/c1-20-15(24)11-28-19-21-16(12-5-3-2-4-6-12)18(29-19)22-17(25)13-7-9-14(10-8-13)23(26)27/h2-10H,11H2,1H3,(H,20,24)(H,22,25)