5-chloranyl-2-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 5-chloro-2-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 5-chloro-2-methoxy-N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 5-chloro-2-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C22H18ClN5O3S MolecularWeight: 467.92802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C22H18ClN5O3S/c1-30-16-7-5-15(6-8-16)28-26-18-9-4-14(12-19(18)27-28)24-22(32)25-21(29)17-11-13(23)3-10-20(17)31-2/h3-12H,1-2H3,(H2,24,25,29,32)