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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)benzyl]-4-chloro-3-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=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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