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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-chloranyl-butanamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-chloro-butanamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-chlorobutanamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-chlorobutanamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-chloro-butyramide Formula: C22H26ClN5OS MolecularWeight: 443.99274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5OS/c1-3-4-6-16-8-10-17(11-9-16)28-26-19-13-15(2)18(14-20(19)27-28)24-22(30)25-21(29)7-5-12-23/h8-11,13-14H,3-7,12H2,1-2H3,(H2,24,25,29,30)