N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-5-(furan-3-yl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-5-(furan-3-yl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-5-(3-furyl)thiadiazole-4-carboxamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]-5-(3-furanyl)-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-5-(furan-3-yl)thiadiazole-4-carboxamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]-5-(3-furyl)thiadiazole-4-carboxamide Formula: C22H18ClN5O4S2 MolecularWeight: 515.99242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=C(SN=N3)C4=COC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=C(SN=N3)C4=COC=C4)Cl)OC

InChI

InChI=1S/C22H18ClN5O4S2/c1-30-17-10-18(31-2)16(9-15(17)23)26-22(33)25-14-5-3-13(4-6-14)24-21(29)19-20(34-28-27-19)12-7-8-32-11-12/h3-11H,1-2H3,(H,24,29)(H2,25,26,33)