N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]pyridine-4-carboxamide

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]pyridine-4-carboxamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]pyridine-4-carboxamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]pyridine-4-carboxamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]isonicotinamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3S/c1-28-18-12-19(29-2)17(11-16(18)22)26-21(30)25-15-5-3-14(4-6-15)24-20(27)13-7-9-23-10-8-13/h3-12H,1-2H3,(H,24,27)(H2,25,26,30)