methyl N-(2-nitro-4-propylsulfanyl-phenyl)-N-[N'-(pyridin-2-ylmethyl)carbamimidoyl]carbamate

Systemtic Name: methyl N-(2-nitro-4-propylsulfanyl-phenyl)-N-[N'-(pyridin-2-ylmethyl)carbamimidoyl]carbamate Openeye Name: methyl N-(2-nitro-4-propylsulfanyl-phenyl)-N-[N'-(2-pyridylmethyl)carbamimidoyl]carbamate CAS Name: N-[amino(2-pyridinylmethylimino)methyl]-N-[2-nitro-4-(propylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-nitro-4-propylsulfanylphenyl)-N-[N'-(pyridin-2-ylmethyl)carbamimidoyl]carbamate Traditional Name: N-[2-nitro-4-(propylthio)phenyl]-N-[N'-(2-pyridylmethyl)amidino]carbamic acid methyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)N(C(=NCC2=CC=CC=N2)N)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=CC(=C(C=C1)N(C(=NCC2=CC=CC=N2)N)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S/c1-3-10-28-14-7-8-15(16(11-14)23(25)26)22(18(24)27-2)17(19)21-12-13-6-4-5-9-20-13/h4-9,11H,3,10,12H2,1-2H3,(H2,19,21)