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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C27H29N5OS MolecularWeight: 471.61706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C=C(C=C4)C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C=C(C=C4)C)C)C

InChI

InChI=1S/C27H29N5OS/c1-5-6-7-20-9-11-21(12-10-20)32-30-24-15-19(4)23(16-25(24)31-32)28-27(34)29-26(33)22-13-8-17(2)14-18(22)3/h8-16H,5-7H2,1-4H3,(H2,28,29,33,34)