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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S2/c1-10-7-8-12(9-14(10)20(22)23)18-16(21)11(2)24-17-19-13-5-3-4-6-15(13)25-17/h3-9,11H,1-2H3,(H,18,21)