methyl 4-[(2-pyrrolidin-1-ylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-pyrrolidin-1-ylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-pyrrolidin-1-ylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-pyrrolidin-1-ylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-pyrrolidinophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=CC=C1N2CCCC2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=CC=C1N2CCCC2

InChI

InChI=1S/C16H23N3O2S/c1-21-15(20)9-6-10-17-16(22)18-13-7-2-3-8-14(13)19-11-4-5-12-19/h2-3,7-8H,4-6,9-12H2,1H3,(H2,17,18,22)