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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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