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

Systemtic Name: 3-butoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=CC=C4

InChI

InChI=1S/C25H25N5O2S/c1-3-4-13-32-20-12-8-9-18(15-20)24(31)27-25(33)26-21-16-23-22(14-17(21)2)28-30(29-23)19-10-6-5-7-11-19/h5-12,14-16H,3-4,13H2,1-2H3,(H2,26,27,31,33)