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

Systemtic Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[2-(2-methylpropanoylamino)-4-phenylsulfanyl-phenyl]carbamate Openeye Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[2-(2-methylpropanoylamino)-4-phenylsulfanyl-phenyl]carbamate CAS Name: N-[(Z)-amino(methoxycarbonylimino)methyl]-N-[2-[(2-methyl-1-oxopropyl)amino]-4-(phenylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[2-(2-methylpropanoylamino)-4-phenylsulfanylphenyl]carbamate Traditional Name: N-[(Z)-N'-carbomethoxyamidino]-N-[2-(isobutyrylamino)-4-(phenylthio)phenyl]carbamic acid methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-13(2)18(26)23-16-12-15(31-14-8-6-5-7-9-14)10-11-17(16)25(21(28)30-4)19(22)24-20(27)29-3/h5-13H,1-4H3,(H,23,26)(H2,22,24,27)