2-morpholin-4-ylcarbonyl-N-[2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-morpholin-4-ylcarbonyl-N-[2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-(morpholine-4-carbonyl)-N-[2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-[4-morpholinyl(oxo)methyl]-N-[2-[[2-(3-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-(morpholine-4-carbonyl)-N-[2-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-keto-2-(3-nitroanilino)ethyl]thio]-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide Formula: C27H23N5O6S2 MolecularWeight: 577.63142

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H23N5O6S2/c33-24(28-17-4-3-5-19(14-17)32(36)37)16-39-27-30-22-9-8-18(15-23(22)40-27)29-25(34)20-6-1-2-7-21(20)26(35)31-10-12-38-13-11-31/h1-9,14-15H,10-13,16H2,(H,28,33)(H,29,34)