methyl N-[N'-[4-cyclohexylsulfanyl-2-(2-methoxyethanoylamino)cyclohexyl]-N-methoxycarbonyl-carbamimidoyl]carbamate

Systemtic Name: methyl N-[N'-[4-cyclohexylsulfanyl-2-(2-methoxyethanoylamino)cyclohexyl]-N-methoxycarbonyl-carbamimidoyl]carbamate Openeye Name: methyl N-[N'-[4-cyclohexylsulfanyl-2-[(2-methoxyacetyl)amino]cyclohexyl]-N-methoxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[[4-(cyclohexylthio)-2-[(2-methoxy-1-oxoethyl)amino]cyclohexyl]imino-(methoxycarbonylamino)methyl]carbamic acid methyl ester IUPAC Name: methyl N-[N'-[4-cyclohexylsulfanyl-2-[(2-methoxyacetyl)amino]cyclohexyl]-N-methoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[N-carbomethoxy-N'-[4-(cyclohexylthio)-2-[(2-methoxyacetyl)amino]cyclohexyl]amidino]carbamic acid methyl ester Formula: C20H34N4O6S MolecularWeight: 458.57216

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1CC(CCC1N=C(NC(=O)OC)NC(=O)OC)SC2CCCCC2

Isomeric SMILES

COCC(=O)NC1CC(CCC1N=C(NC(=O)OC)NC(=O)OC)SC2CCCCC2

InChI

InChI=1S/C20H34N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h13-16H,4-12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)