4-[(4-chlorophenyl)sulfanylmethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C21H14ClN3O3S2 MolecularWeight: 455.93716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O3S2/c22-15-5-8-17(9-6-15)29-12-13-1-3-14(4-2-13)20(26)24-21-23-18-10-7-16(25(27)28)11-19(18)30-21/h1-11H,12H2,(H,23,24,26)