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

Systemtic Name: N-[4-[[(4-ethylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-[[(4-ethylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide CAS Name: N-[4-[[[(4-ethylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[[(4-ethylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[4-[[(4-ethylphenyl)thiocarbamoylamino]carbamoyl]phenyl]nicotinamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H21N5O2S/c1-2-15-5-9-19(10-6-15)25-22(30)27-26-21(29)16-7-11-18(12-8-16)24-20(28)17-4-3-13-23-14-17/h3-14H,2H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30)