N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O2S/c1-3-4-7-19-9-12-21(13-10-19)31-29-23-14-11-20(16-24(23)30-31)27-26(34)28-25(32)17-33-22-8-5-6-18(2)15-22/h5-6,8-16H,3-4,7,17H2,1-2H3,(H2,27,28,32,34)