3,5-dimethyl-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: 3,5-dimethyl-N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3,5-dimethyl-N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C26H27N5OS MolecularWeight: 457.59048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)C(C)C)C

InChI

InChI=1S/C26H27N5OS/c1-15(2)19-6-8-21(9-7-19)31-29-23-13-18(5)22(14-24(23)30-31)27-26(33)28-25(32)20-11-16(3)10-17(4)12-20/h6-15H,1-5H3,(H2,27,28,32,33)