N-[4-[[(2-methylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[4-[[(2-methylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-[(o-tolylcarbamothioylamino)carbamoyl]phenyl]pyridine-3-carboxamide CAS Name: N-[4-[[[(2-methylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[[(2-methylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[4-[(o-tolylthiocarbamoylamino)carbamoyl]phenyl]nicotinamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H19N5O2S/c1-14-5-2-3-7-18(14)24-21(29)26-25-20(28)15-8-10-17(11-9-15)23-19(27)16-6-4-12-22-13-16/h2-13H,1H3,(H,23,27)(H,25,28)(H2,24,26,29)