N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-bromanyl-5-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-bromanyl-5-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-bromo-5-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-bromo-5-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-bromo-5-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-bromo-5-nitro-benzamide Formula: C21H14BrN3O3S MolecularWeight: 468.32316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14BrN3O3S/c1-12-14(21-24-18-6-2-3-8-19(18)29-21)5-4-7-17(12)23-20(26)15-11-13(25(27)28)9-10-16(15)22/h2-11H,1H3,(H,23,26)