2,4-dimethoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 2,4-dimethoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 2,4-dimethoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 2,4-dimethoxy-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dimethoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 2,4-dimethoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C26H21N5O3S MolecularWeight: 483.54164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)OC

InChI

InChI=1S/C26H21N5O3S/c1-33-18-11-12-20(24(15-18)34-2)25(32)28-26(35)27-17-10-13-21-22(14-17)30-31(29-21)23-9-5-7-16-6-3-4-8-19(16)23/h3-15H,1-2H3,(H2,27,28,32,35)