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

Systemtic Name: S-(methylamino) N-(4-methoxyheptyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropyl]carbonyl-carbamothioate Openeye Name: S-(methylamino) N-(4-methoxyheptyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropanecarbonyl]carbamothioate CAS Name: N-(4-methoxyheptyl)-N-[oxo-[1-phenyl-2-(sulfonylamino)cyclopropyl]methyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methoxyheptyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropanecarbonyl]carbamothioate Traditional Name: N-(4-methoxyheptyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropanecarbonyl]thiocarbamic acid S-(methylamino) ester Formula: C20H29N3O5S2 MolecularWeight: 455.59136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCN(C(=O)C1(CC1N=S(=O)=O)C2=CC=CC=C2)C(=O)SNC)OC

Isomeric SMILES

CCCC(CCCN(C(=O)C1(CC1N=S(=O)=O)C2=CC=CC=C2)C(=O)SNC)OC

InChI

InChI=1S/C20H29N3O5S2/c1-4-9-16(28-3)12-8-13-23(19(25)29-21-2)18(24)20(14-17(20)22-30(26)27)15-10-6-5-7-11-15/h5-7,10-11,16-17,21H,4,8-9,12-14H2,1-3H3