methyl N-[N'-(2-diethylaminoethyl)carbamimidoyl]-N-(2-nitro-5-propylsulfanyl-phenyl)carbamate

Systemtic Name: methyl N-[N'-(2-diethylaminoethyl)carbamimidoyl]-N-(2-nitro-5-propylsulfanyl-phenyl)carbamate Openeye Name: methyl N-[N'-(2-diethylaminoethyl)carbamimidoyl]-N-(2-nitro-5-propylsulfanyl-phenyl)carbamate CAS Name: N-[amino(2-diethylaminoethylimino)methyl]-N-[2-nitro-5-(propylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[N'-(2-diethylaminoethyl)carbamimidoyl]-N-(2-nitro-5-propylsulfanylphenyl)carbamate Traditional Name: N-[N'-(2-diethylaminoethyl)amidino]-N-[2-nitro-5-(propylthio)phenyl]carbamic acid methyl ester Formula: C18H29N5O4S MolecularWeight: 411.51896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O4S/c1-5-12-28-14-8-9-15(23(25)26)16(13-14)22(18(24)27-4)17(19)20-10-11-21(6-2)7-3/h8-9,13H,5-7,10-12H2,1-4H3,(H2,19,20)