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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClN5O2S/c1-3-5-7-19-8-12-21(13-9-19)34-32-25-17-23(29)24(18-26(25)33-34)30-28(37)31-27(35)20-10-14-22(15-11-20)36-16-6-4-2/h8-15,17-18H,3-7,16H2,1-2H3,(H2,30,31,35,37)