N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-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(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

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

InChI

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