N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide Traditional Name: N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]hexanamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H25N5O2S/c1-3-5-6-7-20(27)23-21(29)22-15-8-13-18-19(14-15)25-26(24-18)16-9-11-17(12-10-16)28-4-2/h8-14H,3-7H2,1-2H3,(H2,22,23,27,29)