N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H18ClN5O2S MolecularWeight: 451.92862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O2S/c1-2-30-18-10-3-14(4-11-18)21(29)25-22(31)24-16-7-12-19-20(13-16)27-28(26-19)17-8-5-15(23)6-9-17/h3-13H,2H2,1H3,(H2,24,25,29,31)