N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-benzyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C22H15ClN4O5S MolecularWeight: 482.8963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C22H15ClN4O5S/c1-13-7-16(23)10-19-20(13)24-22(33-19)25(12-14-5-3-2-4-6-14)21(28)15-8-17(26(29)30)11-18(9-15)27(31)32/h2-11H,12H2,1H3