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

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C18H16ClN5O3S2 MolecularWeight: 449.93434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O3S2/c1-26-15-8-16(27-2)13(7-12(15)19)22-18(28)21-11-5-3-10(4-6-11)20-17(25)14-9-29-24-23-14/h3-9H,1-2H3,(H,20,25)(H2,21,22,28)