[N'-(4-butanoylphenyl)-N,N-diethyl-carbamimidoyl] N,N-diethylcarbamodithioate hydrochloride

Systemtic Name: [N'-(4-butanoylphenyl)-N,N-diethyl-carbamimidoyl] N,N-diethylcarbamodithioate hydrochloride Openeye Name: [N'-(4-butanoylphenyl)-N,N-diethyl-carbamimidoyl] N,N-diethylcarbamodithioate hydrochloride CAS Name: N,N-diethylcarbamodithioic acid [diethylamino-[4-(1-oxobutyl)phenyl]iminomethyl] ester hydrochloride IUPAC Name: [N'-(4-butanoylphenyl)-N,N-diethylcarbamimidoyl] N,N-diethylcarbamodithioate hydrochloride Traditional Name: N,N-diethylcarbamodithioic acid [N'-(4-butyrylphenyl)-N,N-diethyl-amidino] ester hydrochloride Formula: C20H32ClN3OS2 MolecularWeight: 430.07058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)N=C(N(CC)CC)SC(=S)N(CC)CC.Cl

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)N=C(N(CC)CC)SC(=S)N(CC)CC.Cl

InChI

InChI=1S/C20H31N3OS2.ClH/c1-6-11-18(24)16-12-14-17(15-13-16)21-19(22(7-2)8-3)26-20(25)23(9-4)10-5;/h12-15H,6-11H2,1-5H3;1H