4-[[(2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanoyl]amino]benzamide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O4S2/c1-9(16(23)19-11-4-2-10(3-5-11)15(18)22)26-17-20-13-7-6-12(21(24)25)8-14(13)27-17/h2-9H,1H3,(H2,18,22)(H,19,23)/t9-/m1/s1