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

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloro-5-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-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)CC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

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