2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C18H16ClN3O3S2/c1-9-4-6-14(22(24)25)16(10(9)2)21-17(23)11(3)26-18-20-13-8-12(19)5-7-15(13)27-18/h4-8,11H,1-3H3,(H,21,23)