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

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O2S/c1-3-5-8-20-11-14-23(15-12-20)33-31-25-16-13-22(19-26(25)32-33)29-28(36)30-27(34)21-9-7-10-24(18-21)35-17-6-4-2/h7,9-16,18-19H,3-6,8,17H2,1-2H3,(H2,29,30,34,36)