S-(methylamino) N-(4-methylpentyl)-N-[2-phenyl-1-(sulfonylamino)cyclopropyl]carbonyl-carbamothioate

Systemtic Name: S-(methylamino) N-(4-methylpentyl)-N-[2-phenyl-1-(sulfonylamino)cyclopropyl]carbonyl-carbamothioate Openeye Name: S-(methylamino) N-isohexyl-N-[2-phenyl-1-(sulfonylamino)cyclopropanecarbonyl]carbamothioate CAS Name: N-(4-methylpentyl)-N-[oxo-[2-phenyl-1-(sulfonylamino)cyclopropyl]methyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methylpentyl)-N-[2-phenyl-1-(sulfonylamino)cyclopropanecarbonyl]carbamothioate Traditional Name: N-isohexyl-N-[2-phenyl-1-(sulfonylamino)cyclopropanecarbonyl]thiocarbamic acid S-(methylamino) ester Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN(C(=O)C1(CC1C2=CC=CC=C2)N=S(=O)=O)C(=O)SNC

Isomeric SMILES

CC(C)CCCN(C(=O)C1(CC1C2=CC=CC=C2)N=S(=O)=O)C(=O)SNC

InChI

InChI=1S/C18H25N3O4S2/c1-13(2)8-7-11-21(17(23)26-19-3)16(22)18(20-27(24)25)12-15(18)14-9-5-4-6-10-14/h4-6,9-10,13,15,19H,7-8,11-12H2,1-3H3