N-(4-ethanoylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-acetylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: N-(4-acetylphenyl)-2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]butanamide IUPAC Name: N-(4-acetylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(4-acetylphenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O2S2/c1-3-23(24(30)26-20-14-12-18(13-15-20)17(2)29)32-22-11-7-10-21(16-22)28-25(31)27-19-8-5-4-6-9-19/h4-16,23H,3H2,1-2H3,(H,26,30)(H2,27,28,31)