(4R)-N-(2,6-dimethylphenyl)-5-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-4-methyl-pentanamide

Systemtic Name: (4R)-N-(2,6-dimethylphenyl)-5-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-4-methyl-pentanamide Openeye Name: (4R)-N-(2,6-dimethylphenyl)-5-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-4-methyl-pentanamide CAS Name: (4R)-N-(2,6-dimethylphenyl)-5-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-4-methylpentanamide IUPAC Name: (4R)-N-(2,6-dimethylphenyl)-5-[(4-methoxy-2-nitrophenyl)carbamothioylamino]-4-methylpentanamide Traditional Name: (4R)-N-(2,6-dimethylphenyl)-5-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]-4-methyl-valeramide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCC(C)CNC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CC[C@@H](C)CNC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4S/c1-14(8-11-20(27)25-21-15(2)6-5-7-16(21)3)13-23-22(31)24-18-10-9-17(30-4)12-19(18)26(28)29/h5-7,9-10,12,14H,8,11,13H2,1-4H3,(H,25,27)(H2,23,24,31)/t14-/m1/s1