methyl N-[2-(butylcarbamoylamino)-5-phenylsulfanyl-phenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate

Systemtic Name: methyl N-[2-(butylcarbamoylamino)-5-phenylsulfanyl-phenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate Openeye Name: methyl N-[2-(butylcarbamoylamino)-5-phenylsulfanyl-phenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate CAS Name: N-[(Z)-amino(methoxycarbonylimino)methyl]-N-[2-[[butylamino(oxo)methyl]amino]-5-(phenylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(butylcarbamoylamino)-5-phenylsulfanylphenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[2-(butylcarbamoylamino)-5-(phenylthio)phenyl]-N-[(Z)-N'-carbomethoxyamidino]carbamic acid methyl ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2)N(C(=NC(=O)OC)N)C(=O)OC

Isomeric SMILES

CCCCNC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2)N(/C(=N\C(=O)OC)/N)C(=O)OC

InChI

InChI=1S/C22H27N5O5S/c1-4-5-13-24-20(28)25-17-12-11-16(33-15-9-7-6-8-10-15)14-18(17)27(22(30)32-3)19(23)26-21(29)31-2/h6-12,14H,4-5,13H2,1-3H3,(H2,23,26,29)(H2,24,25,28)