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

Systemtic Name: N-(4-butylphenyl)-2-[2-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[2-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[2-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-butylphenyl)acetamide IUPAC Name: N-(4-butylphenyl)-2-[2-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[2-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C25H27N3OS2 MolecularWeight: 449.63138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C25H27N3OS2/c1-2-3-9-19-14-16-21(17-15-19)26-24(29)18-31-23-13-8-7-12-22(23)28-25(30)27-20-10-5-4-6-11-20/h4-8,10-17H,2-3,9,18H2,1H3,(H,26,29)(H2,27,28,30)