5-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide

Systemtic Name: 5-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: 5-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: 5-acetamido-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 5-acetamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: 5-acetamido-2-nitro-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C24H20N4O5S2 MolecularWeight: 508.5694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

InChI

InChI=1S/C24H20N4O5S2/c1-14(29)25-16-8-10-20(28(31)32)18(11-16)23(30)26-17-7-9-19-22(12-17)35-24(27-19)34-13-15-5-3-4-6-21(15)33-2/h3-12H,13H2,1-2H3,(H,25,29)(H,26,30)