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

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]hexanamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]hexanamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]hexanamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]hexanamide Formula: C23H28ClN5OS MolecularWeight: 458.01932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1Cl)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1Cl)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C23H28ClN5OS/c1-3-5-7-9-22(30)26-23(31)25-19-15-21-20(14-18(19)24)27-29(28-21)17-12-10-16(11-13-17)8-6-4-2/h10-15H,3-9H2,1-2H3,(H2,25,26,30,31)