methyl 4-[(5-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(5-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(5-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[[5-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-2-pyrrolidin-1-ylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(5-chloro-2-pyrrolidino-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2S/c1-22-15(21)5-4-8-18-16(23)19-13-11-12(17)6-7-14(13)20-9-2-3-10-20/h6-7,11H,2-5,8-10H2,1H3,(H2,18,19,23)