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

Systemtic Name: (2R)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-benzyl-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propionamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c1-12(17(22)20(2)11-13-6-4-3-5-7-13)25-18-19-15-9-8-14(21(23)24)10-16(15)26-18/h3-10,12H,11H2,1-2H3/t12-/m1/s1