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

Systemtic Name: propan-2-yl N-(2-acetamido-4-phenylsulfanyl-phenyl)-N-[(E)-N'-propan-2-yloxycarbonylcarbamimidoyl]carbamate Openeye Name: isopropyl N-(2-acetamido-4-phenylsulfanyl-phenyl)-N-[(E)-N'-isopropoxycarbonylcarbamimidoyl]carbamate CAS Name: N-[2-acetamido-4-(phenylthio)phenyl]-N-[(E)-amino-[oxo(propan-2-yloxy)methyl]iminomethyl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-(2-acetamido-4-phenylsulfanylphenyl)-N-[(E)-N'-propan-2-yloxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[2-acetamido-4-(phenylthio)phenyl]-N-[(E)-N'-isopropoxycarbonylamidino]carbamic acid isopropyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5S/c1-14(2)31-22(29)26-21(24)27(23(30)32-15(3)4)20-12-11-18(13-19(20)25-16(5)28)33-17-9-7-6-8-10-17/h6-15H,1-5H3,(H,25,28)(H2,24,26,29)