N-(phenylmethyl)-2-[2-(phenylmethylsulfanyl)ethyl]-2-(thiophen-2-ylcarbonylamino)butanediamide

Systemtic Name: N-(phenylmethyl)-2-[2-(phenylmethylsulfanyl)ethyl]-2-(thiophen-2-ylcarbonylamino)butanediamide Openeye Name: N-benzyl-2-(2-benzylsulfanylethyl)-2-(thiophene-2-carbonylamino)butanediamide CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-N-(phenylmethyl)-2-[2-(phenylmethylthio)ethyl]butanediamide IUPAC Name: N-benzyl-2-(2-benzylsulfanylethyl)-2-(thiophene-2-carbonylamino)butanediamide Traditional Name: N-benzyl-2-[2-(benzylthio)ethyl]-2-(2-thenoylamino)succinamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CCSCC2=CC=CC=C2)(CC(=O)N)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(CCSCC2=CC=CC=C2)(CC(=O)N)NC(=O)C3=CC=CS3

InChI

InChI=1S/C25H27N3O3S2/c26-22(29)16-25(28-23(30)21-12-7-14-33-21,13-15-32-18-20-10-5-2-6-11-20)24(31)27-17-19-8-3-1-4-9-19/h1-12,14H,13,15-18H2,(H2,26,29)(H,27,31)(H,28,30)