4-methoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C22H18N6O4S MolecularWeight: 462.48112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

InChI

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