3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide

Systemtic Name: 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide Openeye Name: 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitro-benzamide CAS Name: 3-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide Traditional Name: 3-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C16H13N3O3S2/c1-9-4-3-5-11(14(9)19(21)22)15(20)17-10-6-7-12-13(8-10)24-16(18-12)23-2/h3-8H,1-2H3,(H,17,20)