methyl N-[2-(hexanoylamino)-4-phenylsulfanyl-phenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate

Systemtic Name: methyl N-[2-(hexanoylamino)-4-phenylsulfanyl-phenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate Openeye Name: methyl N-[2-(hexanoylamino)-4-phenylsulfanyl-phenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate CAS Name: N-[(Z)-amino(methoxycarbonylimino)methyl]-N-[2-(1-oxohexylamino)-4-(phenylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(hexanoylamino)-4-phenylsulfanylphenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[2-(caproylamino)-4-(phenylthio)phenyl]-N-[(Z)-N'-carbomethoxyamidino]carbamic acid methyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5S/c1-4-5-7-12-20(28)25-18-15-17(33-16-10-8-6-9-11-16)13-14-19(18)27(23(30)32-3)21(24)26-22(29)31-2/h6,8-11,13-15H,4-5,7,12H2,1-3H3,(H,25,28)(H2,24,26,29)