4-nitro-N-[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-nitro-N-[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: 4-nitro-N-[2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: N-[2-[[2-(benzylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C23H18N4O4S2 MolecularWeight: 478.54342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S2/c28-21(24-13-15-4-2-1-3-5-15)14-32-23-26-19-11-8-17(12-20(19)33-23)25-22(29)16-6-9-18(10-7-16)27(30)31/h1-12H,13-14H2,(H,24,28)(H,25,29)