3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)butanamide

Systemtic Name: 3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)butanamide Openeye Name: 3-methyl-2-(phenylcarbamoylamino)-N-[2-(p-tolylsulfanyl)ethyl]butanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-3-methyl-N-[2-[(4-methylphenyl)thio]ethyl]butanamide IUPAC Name: 3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)butanamide Traditional Name: 3-methyl-2-(phenylcarbamoylamino)-N-[2-(p-tolylthio)ethyl]butyramide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2S/c1-15(2)19(24-21(26)23-17-7-5-4-6-8-17)20(25)22-13-14-27-18-11-9-16(3)10-12-18/h4-12,15,19H,13-14H2,1-3H3,(H,22,25)(H2,23,24,26)