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

Systemtic Name: N-(4-butoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(4-butoxyphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]acetamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2S2/c1-3-4-16-31-23-14-12-20(13-15-23)27-25(30)18-33-24-7-5-6-22(17-24)29-26(32)28-21-10-8-19(2)9-11-21/h5-15,17H,3-4,16,18H2,1-2H3,(H,27,30)(H2,28,29,32)