S-(methylamino) N-(4-methylhexyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropyl]carbonyl-carbamothioate

Systemtic Name: S-(methylamino) N-(4-methylhexyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropyl]carbonyl-carbamothioate Openeye Name: S-(methylamino) N-(4-methylhexyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]carbamothioate CAS Name: N-(4-methylhexyl)-N-[oxo-[2-phenyl-3-(sulfonylamino)cyclopropyl]methyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methylhexyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]carbamothioate Traditional Name: N-(4-methylhexyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]thiocarbamic acid S-(methylamino) ester Formula: C19H27N3O4S2 MolecularWeight: 425.56538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCN(C(=O)C1C(C1N=S(=O)=O)C2=CC=CC=C2)C(=O)SNC

Isomeric SMILES

CCC(C)CCCN(C(=O)C1C(C1N=S(=O)=O)C2=CC=CC=C2)C(=O)SNC

InChI

InChI=1S/C19H27N3O4S2/c1-4-13(2)9-8-12-22(19(24)27-20-3)18(23)16-15(17(16)21-28(25)26)14-10-6-5-7-11-14/h5-7,10-11,13,15-17,20H,4,8-9,12H2,1-3H3