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

Systemtic Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-benzyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propionamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S2/c1-11(16(21)18-10-12-5-3-2-4-6-12)24-17-19-14-8-7-13(20(22)23)9-15(14)25-17/h2-9,11H,10H2,1H3,(H,18,21)/t11-/m1/s1