methyl 4-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[[3-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-pyrrolidinosulfonylphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S2/c1-23-15(20)8-5-9-17-16(24)18-13-6-4-7-14(12-13)25(21,22)19-10-2-3-11-19/h4,6-7,12H,2-3,5,8-11H2,1H3,(H2,17,18,24)