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

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C28H30ClN5O3S MolecularWeight: 552.0875

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(=CC(=C4)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClN5O3S/c1-4-7-8-18-9-11-20(12-10-18)34-32-25-16-23(29)24(17-26(25)33-34)30-28(38)31-27(35)19-13-21(36-5-2)15-22(14-19)37-6-3/h9-17H,4-8H2,1-3H3,(H2,30,31,35,38)