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

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-chloranyl-butanamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-chloro-butanamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-chlorobutanamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-chlorobutanamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-4-chloro-butyramide Formula: C21H24ClN5OS MolecularWeight: 429.96616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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