2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-nitro-phenyl)pentanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-nitro-phenyl)pentanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-nitro-phenyl)pentanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-methyl-2-nitrophenyl)pentanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-nitrophenyl)pentanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-methyl-2-nitro-phenyl)valeramide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=C(C=C1)C)[N+](=O)[O-])SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC(C(=O)NC1=C(C=C(C=C1)C)[N+](=O)[O-])SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19N3O3S2/c1-3-6-17(27-19-21-14-7-4-5-8-16(14)26-19)18(23)20-13-10-9-12(2)11-15(13)22(24)25/h4-5,7-11,17H,3,6H2,1-2H3,(H,20,23)