N-[4-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[4-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide CAS Name: N-[4-[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[4-[[(4-chlorophenyl)thiocarbamoylamino]carbamoyl]phenyl]nicotinamide Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN5O2S/c21-15-5-9-17(10-6-15)24-20(29)26-25-19(28)13-3-7-16(8-4-13)23-18(27)14-2-1-11-22-12-14/h1-12H,(H,23,27)(H,25,28)(H2,24,26,29)