S-(methylamino) N-[2-(4-methoxythiomorpholin-4-ium-4-yl)-2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate

Systemtic Name: S-(methylamino) N-[2-(4-methoxythiomorpholin-4-ium-4-yl)-2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Openeye Name: S-(methylamino) N-[2-(4-methoxythiomorpholin-4-ium-4-yl)-2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-[2-(4-methoxy-4-thiomorpholin-4-iumyl)-1-oxo-2-phenyl-3-(sulfonylamino)propyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[2-(4-methoxythiomorpholin-4-ium-4-yl)-2-phenyl-3-(sulfonylamino)propanoyl]carbamothioate Traditional Name: N-[2-(4-methoxythiomorpholin-4-ium-4-yl)-2-phenyl-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C16H23N4O5S3+ MolecularWeight: 447.57262

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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(CCSCC2)OC

Isomeric SMILES

CNSC(=O)NC(=O)C(CN=S(=O)=O)(C1=CC=CC=C1)[N+]2(CCSCC2)OC

InChI

InChI=1S/C16H22N4O5S3/c1-17-27-15(22)19-14(21)16(12-18-28(23)24,13-6-4-3-5-7-13)20(25-2)8-10-26-11-9-20/h3-7,17H,8-12H2,1-2H3/p+1