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

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methoxy-benzamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O2S/c1-3-4-6-17-9-12-20(13-10-17)30-28-22-14-11-19(16-23(22)29-30)26-25(33)27-24(31)18-7-5-8-21(15-18)32-2/h5,7-16H,3-4,6H2,1-2H3,(H2,26,27,31,33)