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

Systemtic Name: 2-nitro-N-[2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: 2-nitro-N-[2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-nitro-N-[2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[(2-cumidino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C25H22N4O4S2 MolecularWeight: 506.59658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O4S2/c1-15(2)16-7-9-17(10-8-16)26-23(30)14-34-25-28-20-12-11-18(13-22(20)35-25)27-24(31)19-5-3-4-6-21(19)29(32)33/h3-13,15H,14H2,1-2H3,(H,26,30)(H,27,31)