[N'-(3-ethanoylphenyl)-N,N-diethyl-carbamimidoyl] N,N-diethylcarbamodithioate hydrochloride

Systemtic Name: [N'-(3-ethanoylphenyl)-N,N-diethyl-carbamimidoyl] N,N-diethylcarbamodithioate hydrochloride Openeye Name: [N'-(3-acetylphenyl)-N,N-diethyl-carbamimidoyl] N,N-diethylcarbamodithioate hydrochloride CAS Name: N,N-diethylcarbamodithioic acid [(3-acetylphenyl)imino-(diethylamino)methyl] ester hydrochloride IUPAC Name: [N'-(3-acetylphenyl)-N,N-diethylcarbamimidoyl] N,N-diethylcarbamodithioate hydrochloride Traditional Name: N,N-diethylcarbamodithioic acid [N'-(3-acetylphenyl)-N,N-diethyl-amidino] ester hydrochloride Formula: C18H28ClN3OS2 MolecularWeight: 402.01742

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=NC1=CC=CC(=C1)C(=O)C)SC(=S)N(CC)CC.Cl

Isomeric SMILES

CCN(CC)C(=NC1=CC=CC(=C1)C(=O)C)SC(=S)N(CC)CC.Cl

InChI

InChI=1S/C18H27N3OS2.ClH/c1-6-20(7-2)17(24-18(23)21(8-3)9-4)19-16-12-10-11-15(13-16)14(5)22;/h10-13H,6-9H2,1-5H3;1H