4-butoxy-N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-(4-dimethylaminophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H28N6O2S/c1-4-5-16-34-22-13-6-18(7-14-22)25(33)28-26(35)27-19-8-15-23-24(17-19)30-32(29-23)21-11-9-20(10-12-21)31(2)3/h6-15,17H,4-5,16H2,1-3H3,(H2,27,28,33,35)