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

Systemtic Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[4-phenylsulfanyl-2-(propanoylamino)phenyl]carbamate Openeye Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[4-phenylsulfanyl-2-(propanoylamino)phenyl]carbamate CAS Name: N-[(Z)-amino(methoxycarbonylimino)methyl]-N-[2-(1-oxopropylamino)-4-(phenylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[(Z)-N'-methoxycarbonylcarbamimidoyl]-N-[4-phenylsulfanyl-2-(propanoylamino)phenyl]carbamate Traditional Name: N-[(Z)-N'-carbomethoxyamidino]-N-[4-(phenylthio)-2-propionamido-phenyl]carbamic acid methyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-4-17(25)22-15-12-14(30-13-8-6-5-7-9-13)10-11-16(15)24(20(27)29-3)18(21)23-19(26)28-2/h5-12H,4H2,1-3H3,(H,22,25)(H2,21,23,26)