4-methylsulfanyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)butanamide

Systemtic Name: 4-methylsulfanyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)butanamide Openeye Name: 4-methylsulfanyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)butanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-N-[4-(2-methylsulfonylphenyl)phenyl]-4-(methylthio)butanamide IUPAC Name: 4-methylsulfanyl-N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)butanamide Traditional Name: N-[4-(2-mesylphenyl)phenyl]-4-(methylthio)-2-(phenylcarbamoylamino)butyramide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O4S2/c1-33-17-16-22(28-25(30)27-19-8-4-3-5-9-19)24(29)26-20-14-12-18(13-15-20)21-10-6-7-11-23(21)34(2,31)32/h3-15,22H,16-17H2,1-2H3,(H,26,29)(H2,27,28,30)