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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloranyl-2-nitro-phenyl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-2-nitro-phenyl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-chloro-2-nitrophenyl)propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-2-nitrophenyl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-chloro-2-nitro-phenyl)propionamide Formula: C16H12ClN3O3S2 MolecularWeight: 393.86778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O3S2/c1-9(24-16-19-12-4-2-3-5-14(12)25-16)15(21)18-11-7-6-10(17)8-13(11)20(22)23/h2-9H,1H3,(H,18,21)