2-methyl-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-methyl-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-methyl-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-methyl-N-[2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-methyl-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-methyl-N-[2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S2/c1-14-4-2-3-5-18(14)21(26)23-16-8-11-19-20(12-16)30-22(24-19)29-13-15-6-9-17(10-7-15)25(27)28/h2-12H,13H2,1H3,(H,23,26)