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

Systemtic Name: 3-butoxy-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O3S/c1-3-5-15-34-22-8-6-7-18(16-22)25(32)28-26(35)27-19-9-14-23-24(17-19)30-31(29-23)20-10-12-21(13-11-20)33-4-2/h6-14,16-17H,3-5,15H2,1-2H3,(H2,27,28,32,35)