butan-2-yl N-(2-acetamido-4-phenylsulfanyl-phenyl)-N-[(E)-N'-butan-2-yloxycarbonylcarbamimidoyl]carbamate

Systemtic Name: butan-2-yl N-(2-acetamido-4-phenylsulfanyl-phenyl)-N-[(E)-N'-butan-2-yloxycarbonylcarbamimidoyl]carbamate Openeye Name: sec-butyl N-(2-acetamido-4-phenylsulfanyl-phenyl)-N-[(E)-N'-sec-butoxycarbonylcarbamimidoyl]carbamate CAS Name: N-[2-acetamido-4-(phenylthio)phenyl]-N-[(E)-amino-[butan-2-yloxy(oxo)methyl]iminomethyl]carbamic acid butan-2-yl ester IUPAC Name: butan-2-yl N-(2-acetamido-4-phenylsulfanylphenyl)-N-[(E)-N'-butan-2-yloxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[2-acetamido-4-(phenylthio)phenyl]-N-[(E)-N'-sec-butoxycarbonylamidino]carbamic acid sec-butyl ester Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O5S/c1-6-16(3)33-24(31)28-23(26)29(25(32)34-17(4)7-2)22-14-13-20(15-21(22)27-18(5)30)35-19-11-9-8-10-12-19/h8-17H,6-7H2,1-5H3,(H,27,30)(H2,26,28,31)