methyl 6-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-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=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S2/c1-25-17(22)7-3-2-4-12-19-18(26)20-15-8-10-16(11-9-15)27(23,24)21-13-5-6-14-21/h8-11H,2-7,12-14H2,1H3,(H2,19,20,26)