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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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