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

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C31H29N5O2S MolecularWeight: 535.65926

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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)OCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H29N5O2S/c1-2-3-7-22-10-15-26(16-11-22)36-34-28-19-14-25(20-29(28)35-36)32-31(39)33-30(37)24-12-17-27(18-13-24)38-21-23-8-5-4-6-9-23/h4-6,8-20H,2-3,7,21H2,1H3,(H2,32,33,37,39)