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

Systemtic Name: 3,4-dimethoxy-N-[2-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[2-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 3,4-dimethoxy-N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]-1,3-benzothiazol-6-yl]-3,4-dimethoxy-benzamide Formula: C25H22N4O7S2 MolecularWeight: 554.59478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O7S2/c1-34-16-6-8-17(19(12-16)29(32)33)27-23(30)13-37-25-28-18-7-5-15(11-22(18)38-25)26-24(31)14-4-9-20(35-2)21(10-14)36-3/h4-12H,13H2,1-3H3,(H,26,31)(H,27,30)