N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C26H27N5OS MolecularWeight: 457.59048

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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=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5OS/c1-4-5-6-19-8-11-21(12-9-19)31-29-23-14-10-20(16-24(23)30-31)27-26(33)28-25(32)22-13-7-17(2)15-18(22)3/h7-16H,4-6H2,1-3H3,(H2,27,28,32,33)