4-butoxy-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C29H33N5O2S MolecularWeight: 515.66962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O2S/c1-4-6-8-21-9-13-23(14-10-21)34-32-26-18-20(3)25(19-27(26)33-34)30-29(37)31-28(35)22-11-15-24(16-12-22)36-17-7-5-2/h9-16,18-19H,4-8,17H2,1-3H3,(H2,30,31,35,37)