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

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-2-methyl-propionamide Formula: C21H24ClN5OS MolecularWeight: 429.96616

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5OS/c1-4-5-6-14-7-9-15(10-8-14)27-25-18-11-16(22)17(12-19(18)26-27)23-21(29)24-20(28)13(2)3/h7-13H,4-6H2,1-3H3,(H2,23,24,28,29)