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

Systemtic Name: N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]pyridine-3-carboxamide CAS Name: N-[4-[[[anilino(sulfanylidene)methyl]hydrazo]-oxomethyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[4-[(phenylthiocarbamoylamino)carbamoyl]phenyl]nicotinamide Formula: C20H17N5O2S MolecularWeight: 391.44628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O2S/c26-18(15-5-4-12-21-13-15)22-17-10-8-14(9-11-17)19(27)24-25-20(28)23-16-6-2-1-3-7-16/h1-13H,(H,22,26)(H,24,27)(H2,23,25,28)