N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylidene-ethanamide hydrate hydrochloride

Systemtic Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylidene-ethanamide hydrate hydrochloride Openeye Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-thioxo-acetamide hydrate hydrochloride CAS Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylideneacetamide hydrate hydrochloride IUPAC Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-sulfanylideneacetamide hydrate hydrochloride Traditional Name: N-[3-[methyl(phenethyl)amino]propyl]-N-phenyl-2-thioxo-acetamide hydrate hydrochloride Formula: C20H27ClN2O2S MolecularWeight: 394.95858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN(C1=CC=CC=C1)C(=O)C=S)CCC2=CC=CC=C2.O.Cl

Isomeric SMILES

CN(CCCN(C1=CC=CC=C1)C(=O)C=S)CCC2=CC=CC=C2.O.Cl

InChI

InChI=1S/C20H24N2OS.ClH.H2O/c1-21(16-13-18-9-4-2-5-10-18)14-8-15-22(20(23)17-24)19-11-6-3-7-12-19;;/h2-7,9-12,17H,8,13-16H2,1H3;1H;1H2