N-[2-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[2-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[2-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[2-[[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[2-[[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]thio]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Formula: C28H25N5O6S2 MolecularWeight: 591.658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)N5CCCC5

InChI

InChI=1S/C28H25N5O6S2/c1-39-23-11-9-18(33(37)38)15-22(23)30-25(34)16-40-28-31-21-10-8-17(14-24(21)41-28)29-26(35)19-6-2-3-7-20(19)27(36)32-12-4-5-13-32/h2-3,6-11,14-15H,4-5,12-13,16H2,1H3,(H,29,35)(H,30,34)