N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C23H18N4O5S/c1-14-8-9-20-21(15(14)2)24-23(33-20)25(13-16-6-4-3-5-7-16)22(28)17-10-18(26(29)30)12-19(11-17)27(31)32/h3-12H,13H2,1-2H3