2-(4-methylpiperazin-4-ium-1-yl)-N-[(1R)-1-phenylethyl]-2-sulfanylidene-ethanamide

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-[(1R)-1-phenylethyl]-2-sulfanylidene-ethanamide Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-[(1R)-1-phenylethyl]-2-thioxo-acetamide CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-N-[(1R)-1-phenylethyl]-2-sulfanylideneacetamide IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-[(1R)-1-phenylethyl]-2-sulfanylideneacetamide Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-[(1R)-1-phenylethyl]-2-thioxo-acetamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=S)N2CC[NH+](CC2)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H21N3OS/c1-12(13-6-4-3-5-7-13)16-14(19)15(20)18-10-8-17(2)9-11-18/h3-7,12H,8-11H2,1-2H3,(H,16,19)/p+1/t12-/m1/s1