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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-4-bromanyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-4-bromo-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-4-bromobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-4-bromobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]-4-bromo-benzamide Formula: C20H12BrN3O3S2 MolecularWeight: 486.36158

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrN3O3S2/c21-13-7-5-12(6-8-13)19(25)22-14-9-15(24(26)27)11-16(10-14)28-20-23-17-3-1-2-4-18(17)29-20/h1-11H,(H,22,25)