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

Systemtic Name: S-(methylamino) N-(4-methyloctyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropyl]carbonyl-carbamothioate Openeye Name: S-(methylamino) N-(4-methyloctyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropanecarbonyl]carbamothioate CAS Name: N-(4-methyloctyl)-N-[oxo-[1-phenyl-2-(sulfonylamino)cyclopropyl]methyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-(4-methyloctyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropanecarbonyl]carbamothioate Traditional Name: N-(4-methyloctyl)-N-[1-phenyl-2-(sulfonylamino)cyclopropanecarbonyl]thiocarbamic acid S-(methylamino) ester Formula: C21H31N3O4S2 MolecularWeight: 453.61854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4S2/c1-4-5-10-16(2)11-9-14-24(20(26)29-22-3)19(25)21(15-18(21)23-30(27)28)17-12-7-6-8-13-17/h6-8,12-13,16,18,22H,4-5,9-11,14-15H2,1-3H3