N-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide

Systemtic Name: N-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide Openeye Name: N-[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: N-[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: N-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: N-[2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C24H20N4O4S2 MolecularWeight: 492.57

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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