2-(aminocarbonylamino)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methyl-pentanamide

Systemtic Name: 2-(aminocarbonylamino)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methyl-pentanamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methyl-2-ureido-pentanamide CAS Name: 2-(carbamoylamino)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-methylpentanamide IUPAC Name: 2-(carbamoylamino)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-methylpentanamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-methyl-2-ureido-valeramide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)SC2=C(C=CC(=C2)C)C)NC(=O)N

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC=C(C=C1)SC2=C(C=CC(=C2)C)C)NC(=O)N

InChI

InChI=1S/C21H27N3O2S/c1-5-14(3)19(24-21(22)26)20(25)23-16-8-10-17(11-9-16)27-18-12-13(2)6-7-15(18)4/h6-12,14,19H,5H2,1-4H3,(H,23,25)(H3,22,24,26)