methyl N-(2-nitro-5-propylsulfanyl-phenyl)-N-[N'-(2-piperazin-1-ylethyl)carbamimidoyl]carbamate

Systemtic Name: methyl N-(2-nitro-5-propylsulfanyl-phenyl)-N-[N'-(2-piperazin-1-ylethyl)carbamimidoyl]carbamate Openeye Name: methyl N-(2-nitro-5-propylsulfanyl-phenyl)-N-[N'-(2-piperazin-1-ylethyl)carbamimidoyl]carbamate CAS Name: N-[amino-[2-(1-piperazinyl)ethylimino]methyl]-N-[2-nitro-5-(propylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-(2-nitro-5-propylsulfanylphenyl)-N-[N'-(2-piperazin-1-ylethyl)carbamimidoyl]carbamate Traditional Name: N-[2-nitro-5-(propylthio)phenyl]-N-[N'-(2-piperazinoethyl)amidino]carbamic acid methyl ester Formula: C18H28N6O4S MolecularWeight: 424.51772

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N(C(=NCCN2CCNCC2)N)C(=O)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N(C(=NCCN2CCNCC2)N)C(=O)OC

InChI

InChI=1S/C18H28N6O4S/c1-3-12-29-14-4-5-15(24(26)27)16(13-14)23(18(25)28-2)17(19)21-8-11-22-9-6-20-7-10-22/h4-5,13,20H,3,6-12H2,1-2H3,(H2,19,21)