N-[4-chloranyl-3-(2,2-diphenylethanoylcarbamothioylamino)phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-(2,2-diphenylethanoylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[4-chloro-3-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[(2,2-diphenylacetyl)thiocarbamoylamino]phenyl]butyramide Formula: C25H24ClN3O2S MolecularWeight: 465.99496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O2S/c1-2-9-22(30)27-19-14-15-20(26)21(16-19)28-25(32)29-24(31)23(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-16,23H,2,9H2,1H3,(H,27,30)(H2,28,29,31,32)