methyl 6-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[[3-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(3-pyrrolidinosulfonylphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H27N3O4S2/c1-25-17(22)10-3-2-4-11-19-18(26)20-15-8-7-9-16(14-15)27(23,24)21-12-5-6-13-21/h7-9,14H,2-6,10-13H2,1H3,(H2,19,20,26)