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

Systemtic Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[2-(pentanoylamino)-4-phenylsulfanyl-phenyl]carbamate Openeye Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[2-(pentanoylamino)-4-phenylsulfanyl-phenyl]carbamate CAS Name: N-[(Z)-amino(methoxycarbonylimino)methyl]-N-[2-(1-oxopentylamino)-4-(phenylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[2-(pentanoylamino)-4-phenylsulfanylphenyl]carbamate Traditional Name: N-[(Z)-N'-carbomethoxyamidino]-N-[4-(phenylthio)-2-(valerylamino)phenyl]carbamic acid methyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-4-5-11-19(27)24-17-14-16(32-15-9-7-6-8-10-15)12-13-18(17)26(22(29)31-3)20(23)25-21(28)30-2/h6-10,12-14H,4-5,11H2,1-3H3,(H,24,27)(H2,23,25,28)