(2R)-N-(3-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(3-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(3-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(3-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: (2R)-N-(3-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(3-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propionamide Formula: C16H12ClN3O3S2 MolecularWeight: 393.86778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O3S2/c1-9(15(21)18-11-4-2-3-10(17)7-11)24-16-19-13-6-5-12(20(22)23)8-14(13)25-16/h2-9H,1H3,(H,18,21)/t9-/m1/s1