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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S/c1-13-7-8-15(12-19(13)25(27)28)21(26)23-17-10-9-16(11-14(17)2)22-24-18-5-3-4-6-20(18)29-22/h3-12H,1-2H3,(H,23,26)