(phenylmethyl) N-[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-2-oxidanylidene-1-propan-2-ylsulfanyl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-2-oxidanylidene-1-propan-2-ylsulfanyl-ethyl]carbamate Openeye Name: benzyl N-[1-isopropylsulfanyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]-2-oxo-1-(propan-2-ylthio)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylamino]-2-oxo-1-propan-2-ylsulfanylethyl]carbamate Traditional Name: N-[1-(isopropylthio)-2-keto-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]ethyl]carbamic acid benzyl ester Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)C(NC(=O)OCC2=CC=CC=C2)SC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)C(NC(=O)OCC2=CC=CC=C2)SC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O5S/c1-13(2)30-18(22-19(26)29-12-15-7-5-4-6-8-15)17(25)20-9-10-23-14(3)21-11-16(23)24(27)28/h4-8,11,13,18H,9-10,12H2,1-3H3,(H,20,25)(H,22,26)