(phenylmethyl) N-[1-[(2-butyl-3-methyl-imidazol-4-yl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-N-methyl-carbamate

Systemtic Name: (phenylmethyl) N-[1-[(2-butyl-3-methyl-imidazol-4-yl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-N-methyl-carbamate Openeye Name: benzyl N-[2-[(2-butyl-3-methyl-imidazol-4-yl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]-N-methyl-carbamate CAS Name: N-[1-[(2-butyl-3-methyl-4-imidazolyl)amino]-3-mercapto-1-oxopropan-2-yl]-N-methylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(2-butyl-3-methylimidazol-4-yl)amino]-1-oxo-3-sulfanylpropan-2-yl]-N-methylcarbamate Traditional Name: N-[2-[(2-butyl-3-methyl-imidazol-4-yl)amino]-2-keto-1-(mercaptomethyl)ethyl]-N-methyl-carbamic acid benzyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1C)NC(=O)C(CS)N(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NC=C(N1C)NC(=O)C(CS)N(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O3S/c1-4-5-11-17-21-12-18(24(17)3)22-19(25)16(14-28)23(2)20(26)27-13-15-9-7-6-8-10-15/h6-10,12,16,28H,4-5,11,13-14H2,1-3H3,(H,22,25)