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

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S2/c1-23-15(20)5-4-10-17-16(24)18-13-6-8-14(9-7-13)25(21,22)19-11-2-3-12-19/h6-9H,2-5,10-12H2,1H3,(H2,17,18,24)