S-(methylamino) N-[1-(4-methoxythiomorpholin-4-ium-4-yl)-2-phenyl-3-(sulfonylamino)cyclopropyl]carbonylcarbamothioate

Systemtic Name: S-(methylamino) N-[1-(4-methoxythiomorpholin-4-ium-4-yl)-2-phenyl-3-(sulfonylamino)cyclopropyl]carbonylcarbamothioate Openeye Name: S-(methylamino) N-[1-(4-methoxythiomorpholin-4-ium-4-yl)-2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]carbamothioate CAS Name: N-[[1-(4-methoxy-4-thiomorpholin-4-iumyl)-2-phenyl-3-(sulfonylamino)cyclopropyl]-oxomethyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[1-(4-methoxythiomorpholin-4-ium-4-yl)-2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]carbamothioate Traditional Name: N-[1-(4-methoxythiomorpholin-4-ium-4-yl)-2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]thiocarbamic acid S-(methylamino) ester Formula: C17H23N4O5S3+ MolecularWeight: 459.58332

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Descriptors Computed from Structure

Canonical SMILES:

CNSC(=O)NC(=O)C1(C(C1N=S(=O)=O)C2=CC=CC=C2)[N+]3(CCSCC3)OC

Isomeric SMILES

CNSC(=O)NC(=O)C1(C(C1N=S(=O)=O)C2=CC=CC=C2)[N+]3(CCSCC3)OC

InChI

InChI=1S/C17H22N4O5S3/c1-18-28-16(23)19-15(22)17(21(26-2)8-10-27-11-9-21)13(14(17)20-29(24)25)12-6-4-3-5-7-12/h3-7,13-14,18H,8-11H2,1-2H3/p+1