ethyl 2-[[3-pyrrolidin-1-ylpropyl(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoate

Systemtic Name: ethyl 2-[[3-pyrrolidin-1-ylpropyl(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoate Openeye Name: ethyl 2-[[3-pyrrolidin-1-ylpropyl(2-thienylmethyl)carbamothioyl]amino]acetate CAS Name: 2-[[[3-(1-pyrrolidinyl)propyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-pyrrolidin-1-ylpropyl(thiophen-2-ylmethyl)carbamothioyl]amino]acetate Traditional Name: 2-[[3-pyrrolidinopropyl(2-thenyl)thiocarbamoyl]amino]acetic acid ethyl ester Formula: C17H27N3O2S2 MolecularWeight: 369.54518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N(CCCN1CCCC1)CC2=CC=CS2

Isomeric SMILES

CCOC(=O)CNC(=S)N(CCCN1CCCC1)CC2=CC=CS2

InChI

InChI=1S/C17H27N3O2S2/c1-2-22-16(21)13-18-17(23)20(14-15-7-5-12-24-15)11-6-10-19-8-3-4-9-19/h5,7,12H,2-4,6,8-11,13-14H2,1H3,(H,18,23)