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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-3-chloranyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-3-chloro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-3-chlorobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-3-chlorobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]-3-chloro-benzamide Formula: C20H12ClN3O3S2 MolecularWeight: 441.91058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H12ClN3O3S2/c21-13-5-3-4-12(8-13)19(25)22-14-9-15(24(26)27)11-16(10-14)28-20-23-17-6-1-2-7-18(17)29-20/h1-11H,(H,22,25)