N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-chloro-3-nitro-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-chloro-3-nitro-benzamide Formula: C21H14ClN3O3S MolecularWeight: 423.87216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O3S/c1-12-6-7-14(21-24-16-4-2-3-5-19(16)29-21)10-17(12)23-20(26)13-8-9-15(22)18(11-13)25(27)28/h2-11H,1H3,(H,23,26)