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

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C24H21ClIN5OS MolecularWeight: 589.87891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClIN5OS/c1-2-3-4-15-5-9-18(10-6-15)31-29-21-12-8-17(14-22(21)30-31)27-24(33)28-23(32)19-13-16(26)7-11-20(19)25/h5-14H,2-4H2,1H3,(H2,27,28,32,33)