ethyl 2-[[3-(azepan-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoate

Systemtic Name: ethyl 2-[[3-(azepan-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoate Openeye Name: ethyl 2-[[3-(azepan-1-yl)propyl-(2-thienylmethyl)carbamothioyl]amino]acetate CAS Name: 2-[[[3-(1-azepanyl)propyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-(azepan-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]acetate Traditional Name: 2-[[3-(azepan-1-yl)propyl-(2-thenyl)thiocarbamoyl]amino]acetic acid ethyl ester Formula: C19H31N3O2S2 MolecularWeight: 397.59834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N(CCCN1CCCCCC1)CC2=CC=CS2

Isomeric SMILES

CCOC(=O)CNC(=S)N(CCCN1CCCCCC1)CC2=CC=CS2

InChI

InChI=1S/C19H31N3O2S2/c1-2-24-18(23)15-20-19(25)22(16-17-9-7-14-26-17)13-8-12-21-10-5-3-4-6-11-21/h7,9,14H,2-6,8,10-13,15-16H2,1H3,(H,20,25)