[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClN3O4S/c1-10(2)14(15(23)22-18(20)25)26-17(24)13-4-3-9-21-16(13)27-12-7-5-11(19)6-8-12/h3-10,14H,1-2H3,(H3,20,22,23,25)