N-(4-butoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-butoxyphenyl)acetamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C25H27N3O2S2 MolecularWeight: 465.63078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O2S2/c1-2-3-16-30-22-14-12-20(13-15-22)26-24(29)18-32-23-11-7-10-21(17-23)28-25(31)27-19-8-5-4-6-9-19/h4-15,17H,2-3,16,18H2,1H3,(H,26,29)(H2,27,28,31)