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

Systemtic Name: 4-tert-butyl-N-[2-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-tert-butyl-N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C27H26N4O5S2 MolecularWeight: 550.64914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=C(C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=C(C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O5S2/c1-27(2,3)17-7-5-16(6-8-17)25(33)28-18-9-11-21-23(13-18)38-26(30-21)37-15-24(32)29-20-12-10-19(36-4)14-22(20)31(34)35/h5-14H,15H2,1-4H3,(H,28,33)(H,29,32)