methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[2-(3-methylbutanoylamino)-5-phenylsulfanyl-phenyl]carbamate

Systemtic Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[2-(3-methylbutanoylamino)-5-phenylsulfanyl-phenyl]carbamate Openeye Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[2-(3-methylbutanoylamino)-5-phenylsulfanyl-phenyl]carbamate CAS Name: N-[(Z)-amino(methoxycarbonylimino)methyl]-N-[2-[(3-methyl-1-oxobutyl)amino]-5-(phenylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[2-(3-methylbutanoylamino)-5-phenylsulfanylphenyl]carbamate Traditional Name: N-[(Z)-N'-carbomethoxyamidino]-N-[2-(isovalerylamino)-5-(phenylthio)phenyl]carbamic acid methyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-14(2)12-19(27)24-17-11-10-16(32-15-8-6-5-7-9-15)13-18(17)26(22(29)31-4)20(23)25-21(28)30-3/h5-11,13-14H,12H2,1-4H3,(H,24,27)(H2,23,25,28)