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

Systemtic Name: methyl N-[N'-(2-diethylaminoethyl)carbamimidoyl]-N-(2-nitro-5-phenylsulfanyl-phenyl)carbamate Openeye Name: methyl N-[N'-(2-diethylaminoethyl)carbamimidoyl]-N-(2-nitro-5-phenylsulfanyl-phenyl)carbamate CAS Name: N-[amino(2-diethylaminoethylimino)methyl]-N-[2-nitro-5-(phenylthio)phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[N'-(2-diethylaminoethyl)carbamimidoyl]-N-(2-nitro-5-phenylsulfanylphenyl)carbamate Traditional Name: N-[N'-(2-diethylaminoethyl)amidino]-N-[2-nitro-5-(phenylthio)phenyl]carbamic acid methyl ester Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN=C(N)N(C1=C(C=CC(=C1)SC2=CC=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCN(CC)CCN=C(N)N(C1=C(C=CC(=C1)SC2=CC=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H27N5O4S/c1-4-24(5-2)14-13-23-20(22)25(21(27)30-3)19-15-17(11-12-18(19)26(28)29)31-16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H2,22,23)