N-[2-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide

Systemtic Name: N-[2-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: N-[2-[2-(2,3-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: N-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: N-[2-[[2-(2,3-dimethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C24H20N4O4S2 MolecularWeight: 492.57

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C24H20N4O4S2/c1-14-6-5-8-18(15(14)2)26-22(29)13-33-24-27-19-11-10-16(12-21(19)34-24)25-23(30)17-7-3-4-9-20(17)28(31)32/h3-12H,13H2,1-2H3,(H,25,30)(H,26,29)