N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methyl-4-nitro-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)benzyl]-3-methyl-4-nitro-benzamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S/c1-14-12-17(10-11-19(14)25(27)28)21(26)23-13-15-6-8-16(9-7-15)22-24-18-4-2-3-5-20(18)29-22/h2-12H,13H2,1H3,(H,23,26)