S-(methylamino) N-[2-(4-methoxy-1-methyl-piperazin-1-ium-1-yl)-2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate

Systemtic Name: S-(methylamino) N-[2-(4-methoxy-1-methyl-piperazin-1-ium-1-yl)-2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Openeye Name: S-(methylamino) N-[2-(4-methoxy-1-methyl-piperazin-1-ium-1-yl)-2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-[2-(4-methoxy-1-methyl-1-piperazin-1-iumyl)-1-oxo-2-phenyl-3-(sulfonylamino)propyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[2-(4-methoxy-1-methylpiperazin-1-ium-1-yl)-2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Traditional Name: N-[2-(4-methoxy-1-methyl-piperazin-1-ium-1-yl)-2-phenyl-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C17H26N5O5S2+ MolecularWeight: 444.54884

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Descriptors Computed from Structure

Canonical SMILES:

CNSC(=O)NC(=O)C(CN=S(=O)=O)(C1=CC=CC=C1)[N+]2(CCN(CC2)OC)C

Isomeric SMILES

CNSC(=O)NC(=O)C(CN=S(=O)=O)(C1=CC=CC=C1)[N+]2(CCN(CC2)OC)C

InChI

InChI=1S/C17H25N5O5S2/c1-18-28-16(24)20-15(23)17(13-19-29(25)26,14-7-5-4-6-8-14)22(2)11-9-21(27-3)10-12-22/h4-8,18H,9-13H2,1-3H3/p+1