methyl 3-[(4-pyrrolidin-1-ylphenyl)carbamothioylamino]propanoate

Systemtic Name: methyl 3-[(4-pyrrolidin-1-ylphenyl)carbamothioylamino]propanoate Openeye Name: methyl 3-[(4-pyrrolidin-1-ylphenyl)carbamothioylamino]propanoate CAS Name: 3-[[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-pyrrolidin-1-ylphenyl)carbamothioylamino]propanoate Traditional Name: 3-[(4-pyrrolidinophenyl)thiocarbamoylamino]propionic acid methyl ester Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-20-14(19)8-9-16-15(21)17-12-4-6-13(7-5-12)18-10-2-3-11-18/h4-7H,2-3,8-11H2,1H3,(H2,16,17,21)