N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-4-ethoxy-benzamide 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)C4=CC=C(C=C4)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O2S/c1-3-5-6-18-7-12-21(13-8-18)31-29-23-16-11-20(17-24(23)30-31)27-26(34)28-25(32)19-9-14-22(15-10-19)33-4-2/h7-17H,3-6H2,1-2H3,(H2,27,28,32,34)