N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C25H24ClN5OS2 MolecularWeight: 510.07396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN5OS2/c1-2-3-4-17-5-10-20(11-6-17)31-29-22-14-9-19(15-23(22)30-31)27-25(33)28-24(32)16-34-21-12-7-18(26)8-13-21/h5-15H,2-4,16H2,1H3,(H2,27,28,32,33)