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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14ClN3O3S/c22-17-10-9-15(25(27)28)11-16(17)20(26)23-12-13-5-7-14(8-6-13)21-24-18-3-1-2-4-19(18)29-21/h1-11H,12H2,(H,23,26)