(2S)-2-(aminocarbonylamino)-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-methyl-pentanamide Openeye Name: (2S)-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-methyl-2-ureido-pentanamide CAS Name: (2S)-2-(carbamoylamino)-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-4-methylpentanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-methylpentanamide Traditional Name: (2S)-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-4-methyl-2-ureido-valeramide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C(CC(C)C)NC(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)[C@H](CC(C)C)NC(=O)N)C

InChI

InChI=1S/C21H27N3O2S/c1-13(2)11-19(24-21(22)26)20(25)23-16-6-9-17(10-7-16)27-18-8-5-14(3)15(4)12-18/h5-10,12-13,19H,11H2,1-4H3,(H,23,25)(H3,22,24,26)/t19-/m0/s1