2-azanyl-N-[1-[2-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-4-methyl-pentanamide

Systemtic Name: 2-azanyl-N-[1-[2-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-4-methyl-pentanamide Openeye Name: 2-amino-N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxo-1-(sulfanylmethyl)ethyl]-4-methyl-pentanamide CAS Name: 2-amino-N-[1-[2-(2,4-dichlorophenyl)ethylamino]-3-mercapto-1-oxopropan-2-yl]-4-methylpentanamide IUPAC Name: 2-amino-N-[1-[2-(2,4-dichlorophenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide Traditional Name: 2-amino-N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-keto-1-(mercaptomethyl)ethyl]-4-methyl-valeramide Formula: C17H25Cl2N3O2S MolecularWeight: 406.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CS)C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CS)C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)N

InChI

InChI=1S/C17H25Cl2N3O2S/c1-10(2)7-14(20)16(23)22-15(9-25)17(24)21-6-5-11-3-4-12(18)8-13(11)19/h3-4,8,10,14-15,25H,5-7,9,20H2,1-2H3,(H,21,24)(H,22,23)