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

Systemtic Name: methyl N-[2-(ethylcarbamoylamino)-5-phenylsulfanyl-phenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate Openeye Name: methyl N-[2-(ethylcarbamoylamino)-5-phenylsulfanyl-phenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate CAS Name: N-[(Z)-amino(methoxycarbonylimino)methyl]-N-[2-(ethylcarbamoylamino)-5-(phenylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(ethylcarbamoylamino)-5-phenylsulfanylphenyl]-N-[(Z)-N'-methoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[(Z)-N'-carbomethoxyamidino]-N-[2-(ethylcarbamoylamino)-5-(phenylthio)phenyl]carbamic acid methyl ester Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5S/c1-4-22-18(26)23-15-11-10-14(31-13-8-6-5-7-9-13)12-16(15)25(20(28)30-3)17(21)24-19(27)29-2/h5-12H,4H2,1-3H3,(H2,21,24,27)(H2,22,23,26)