2-(aminocarbonylamino)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methyl-pentanamide

Systemtic Name: 2-(aminocarbonylamino)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methyl-pentanamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methyl-2-ureido-pentanamide CAS Name: 2-(carbamoylamino)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-methylpentanamide IUPAC Name: 2-(carbamoylamino)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methylpentanamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-methyl-2-ureido-valeramide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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