N-[6-[(2-chloranyl-3,5-dimethoxy-phenyl)carbamothioylamino]pyridin-3-yl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[6-[(2-chloranyl-3,5-dimethoxy-phenyl)carbamothioylamino]pyridin-3-yl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[6-[(2-chloro-3,5-dimethoxy-phenyl)carbamothioylamino]-3-pyridyl]thiadiazole-4-carboxamide CAS Name: N-[6-[[(2-chloro-3,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-3-pyridinyl]-4-thiadiazolecarboxamide IUPAC Name: N-[6-[(2-chloro-3,5-dimethoxyphenyl)carbamothioylamino]pyridin-3-yl]thiadiazole-4-carboxamide Traditional Name: N-[6-[(2-chloro-3,5-dimethoxy-phenyl)thiocarbamoylamino]-3-pyridyl]thiadiazole-4-carboxamide Formula: C17H15ClN6O3S2 MolecularWeight: 450.9224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)NC(=S)NC2=NC=C(C=C2)NC(=O)C3=CSN=N3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)NC(=S)NC2=NC=C(C=C2)NC(=O)C3=CSN=N3)Cl)OC

InChI

InChI=1S/C17H15ClN6O3S2/c1-26-10-5-11(15(18)13(6-10)27-2)21-17(28)22-14-4-3-9(7-19-14)20-16(25)12-8-29-24-23-12/h3-8H,1-2H3,(H,20,25)(H2,19,21,22,28)