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

Systemtic Name: 3-butoxy-N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C28H30ClN5O2S MolecularWeight: 536.0881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClN5O2S/c1-3-5-8-19-11-13-21(14-12-19)34-32-25-17-23(29)24(18-26(25)33-34)30-28(37)31-27(35)20-9-7-10-22(16-20)36-15-6-4-2/h7,9-14,16-18H,3-6,8,15H2,1-2H3,(H2,30,31,35,37)