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

Systemtic Name: N-[4-(2,2-diphenylethanoylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[4-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]butanamide CAS Name: N-[4-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-[(2,2-diphenylacetyl)thiocarbamoylamino]phenyl]butyramide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-2-9-22(29)26-20-14-16-21(17-15-20)27-25(31)28-24(30)23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-17,23H,2,9H2,1H3,(H,26,29)(H2,27,28,30,31)