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

Systemtic Name: 4-butoxy-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O2S/c1-3-5-7-20-8-13-23(14-9-20)33-31-25-17-12-22(19-26(25)32-33)29-28(36)30-27(34)21-10-15-24(16-11-21)35-18-6-4-2/h8-17,19H,3-7,18H2,1-2H3,(H2,29,30,34,36)