[4-[4-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]sulfanylphenyl]phenyl]methylcarbamic acid

Systemtic Name: [4-[4-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]sulfanylphenyl]phenyl]methylcarbamic acid Openeye Name: [4-[4-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]sulfanylphenyl]phenyl]methylcarbamic acid CAS Name: [4-[4-[[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]thio]phenyl]phenyl]methylcarbamic acid IUPAC Name: [4-[4-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]sulfanylphenyl]phenyl]methylcarbamic acid Traditional Name: [4-[4-[[1-(cyanomethylcarbamoyl)-3-methyl-butyl]thio]phenyl]benzyl]carbamic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=O)O

InChI

InChI=1S/C22H25N3O3S/c1-15(2)13-20(21(26)24-12-11-23)29-19-9-7-18(8-10-19)17-5-3-16(4-6-17)14-25-22(27)28/h3-10,15,20,25H,12-14H2,1-2H3,(H,24,26)(H,27,28)