N-[4-[(2,2-diphenylethanoylcarbamothioylamino)carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[(2,2-diphenylethanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[(2,2-diphenylacetyl)carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[oxo-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]butanamide IUPAC Name: N-[4-[[(2,2-diphenylacetyl)carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[(2,2-diphenylacetyl)thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C26H26N4O3S MolecularWeight: 474.57464

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)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H26N4O3S/c1-2-9-22(31)27-21-16-14-20(15-17-21)24(32)29-30-26(34)28-25(33)23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-17,23H,2,9H2,1H3,(H,27,31)(H,29,32)(H2,28,30,33,34)