3-(cyclohexylsulfanylmethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)coumarilamide Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4S2/c27-22(25-23-24-18-11-10-14(26(28)29)12-20(18)32-23)21-17(13-31-15-6-2-1-3-7-15)16-8-4-5-9-19(16)30-21/h4-5,8-12,15H,1-3,6-7,13H2,(H,24,25,27)