N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methyl-benzamide Formula: C25H25N5OS MolecularWeight: 443.5639

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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=CC(=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5OS/c1-3-4-7-18-9-12-21(13-10-18)30-28-22-14-11-20(16-23(22)29-30)26-25(32)27-24(31)19-8-5-6-17(2)15-19/h5-6,8-16H,3-4,7H2,1-2H3,(H2,26,27,31,32)