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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-methylphenoxy)ethanamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-methylphenoxy)acetamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-(4-methylphenoxy)acetamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(4-methylphenoxy)acetamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-(4-methylphenoxy)acetamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O2S/c1-4-5-6-20-9-11-21(12-10-20)32-30-24-15-19(3)23(16-25(24)31-32)28-27(35)29-26(33)17-34-22-13-7-18(2)8-14-22/h7-16H,4-6,17H2,1-3H3,(H2,28,29,33,35)