3,5-diethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3,5-diethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3,5-diethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3,5-diethoxy-N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-diethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3,5-diethoxy-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C24H22FN5O3S MolecularWeight: 479.526583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)OCC

InChI

InChI=1S/C24H22FN5O3S/c1-3-32-19-11-15(12-20(14-19)33-4-2)23(31)27-24(34)26-17-7-10-21-22(13-17)29-30(28-21)18-8-5-16(25)6-9-18/h5-14H,3-4H2,1-2H3,(H2,26,27,31,34)