N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-ethylphenoxy)ethanamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-ethylphenoxy)ethanamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-ethylphenoxy)acetamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-(4-ethylphenoxy)acetamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(4-ethylphenoxy)acetamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-(4-ethylphenoxy)acetamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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)COC4=CC=C(C=C4)CC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)COC4=CC=C(C=C4)CC)C

InChI

InChI=1S/C28H31N5O2S/c1-4-6-7-21-8-12-22(13-9-21)33-31-25-16-19(3)24(17-26(25)32-33)29-28(36)30-27(34)18-35-23-14-10-20(5-2)11-15-23/h8-17H,4-7,18H2,1-3H3,(H2,29,30,34,36)