4-methoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-3-nitro-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-methoxy-N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-3-nitro-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C22H18N6O4S MolecularWeight: 462.48112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O4S/c1-13-3-7-16(8-4-13)27-25-17-9-6-15(12-18(17)26-27)23-22(33)24-21(29)14-5-10-20(32-2)19(11-14)28(30)31/h3-12H,1-2H3,(H2,23,24,29,33)