2-(4-chlorophenyl)sulfanyl-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C23H20ClN5O2S2 MolecularWeight: 498.0202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN5O2S2/c1-2-31-18-8-6-17(7-9-18)29-27-20-12-5-16(13-21(20)28-29)25-23(32)26-22(30)14-33-19-10-3-15(24)4-11-19/h3-13H,2,14H2,1H3,(H2,25,26,30,32)