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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

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