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

Systemtic Name: N-[6-[(2-chloranyl-3,5-dimethoxy-phenyl)carbamothioylamino]pyridin-3-yl]pyridine-2-carboxamide Openeye Name: N-[6-[(2-chloro-3,5-dimethoxy-phenyl)carbamothioylamino]-3-pyridyl]pyridine-2-carboxamide CAS Name: N-[6-[[(2-chloro-3,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-3-pyridinyl]-2-pyridinecarboxamide IUPAC Name: N-[6-[(2-chloro-3,5-dimethoxyphenyl)carbamothioylamino]pyridin-3-yl]pyridine-2-carboxamide Traditional Name: N-[6-[(2-chloro-3,5-dimethoxy-phenyl)thiocarbamoylamino]-3-pyridyl]picolinamide Formula: C20H18ClN5O3S MolecularWeight: 443.90662

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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=CC=CC=N3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O3S/c1-28-13-9-15(18(21)16(10-13)29-2)25-20(30)26-17-7-6-12(11-23-17)24-19(27)14-5-3-4-8-22-14/h3-11H,1-2H3,(H,24,27)(H2,23,25,26,30)