3-methyl-N-(4-methylsulfanylphenyl)-2-[(phenylmethyl)carbamoylamino]butanamide

Systemtic Name: 3-methyl-N-(4-methylsulfanylphenyl)-2-[(phenylmethyl)carbamoylamino]butanamide Openeye Name: 2-(benzylcarbamoylamino)-3-methyl-N-(4-methylsulfanylphenyl)butanamide CAS Name: 3-methyl-N-[4-(methylthio)phenyl]-2-[[oxo-[(phenylmethyl)amino]methyl]amino]butanamide IUPAC Name: 2-(benzylcarbamoylamino)-3-methyl-N-(4-methylsulfanylphenyl)butanamide Traditional Name: 2-(benzylcarbamoylamino)-3-methyl-N-[4-(methylthio)phenyl]butyramide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)SC)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)SC)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O2S/c1-14(2)18(19(24)22-16-9-11-17(26-3)12-10-16)23-20(25)21-13-15-7-5-4-6-8-15/h4-12,14,18H,13H2,1-3H3,(H,22,24)(H2,21,23,25)