[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O4S/c1-12(2)17(18(24)23-20(22)26)27-19(25)14-5-3-13(4-6-14)11-28-16-9-7-15(21)8-10-16/h3-10,12,17H,11H2,1-2H3,(H3,22,23,24,26)