N-[4-[(2-phenylethanoylcarbamothioylamino)carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[(2-phenylethanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[(2-phenylacetyl)carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[oxo-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]butanamide IUPAC Name: N-[4-[[(2-phenylacetyl)carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[(2-phenylacetyl)thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H22N4O3S/c1-2-6-17(25)21-16-11-9-15(10-12-16)19(27)23-24-20(28)22-18(26)13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,21,25)(H,23,27)(H2,22,24,26,28)