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

Systemtic Name: S-(methylamino) N-(4-methylheptyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropyl]carbonyl-carbamothioate Openeye Name: S-(methylamino) N-(4-methylheptyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]carbamothioate CAS Name: N-(4-methylheptyl)-N-[oxo-[2-phenyl-3-(sulfonylamino)cyclopropyl]methyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methylheptyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]carbamothioate Traditional Name: N-(4-methylheptyl)-N-[2-phenyl-3-(sulfonylamino)cyclopropanecarbonyl]thiocarbamic acid S-(methylamino) ester Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S2/c1-4-9-14(2)10-8-13-23(20(25)28-21-3)19(24)17-16(18(17)22-29(26)27)15-11-6-5-7-12-15/h5-7,11-12,14,16-18,21H,4,8-10,13H2,1-3H3