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

Systemtic Name: N-(4-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-methoxyphenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S2/c1-27-19-12-10-17(11-13-19)23-21(26)15-29-20-9-5-8-18(14-20)25-22(28)24-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,23,26)(H2,24,25,28)