ethyl 2-[[3-(4-methylpiperazin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoate

Systemtic Name: ethyl 2-[[3-(4-methylpiperazin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoate Openeye Name: ethyl 2-[[3-(4-methylpiperazin-1-yl)propyl-(2-thienylmethyl)carbamothioyl]amino]acetate CAS Name: 2-[[[3-(4-methyl-1-piperazinyl)propyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-methylpiperazin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]acetate Traditional Name: 2-[[3-(4-methylpiperazino)propyl-(2-thenyl)thiocarbamoyl]amino]acetic acid ethyl ester Formula: C18H30N4O2S2 MolecularWeight: 398.5864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N(CCCN1CCN(CC1)C)CC2=CC=CS2

Isomeric SMILES

CCOC(=O)CNC(=S)N(CCCN1CCN(CC1)C)CC2=CC=CS2

InChI

InChI=1S/C18H30N4O2S2/c1-3-24-17(23)14-19-18(25)22(15-16-6-4-13-26-16)8-5-7-21-11-9-20(2)10-12-21/h4,6,13H,3,5,7-12,14-15H2,1-2H3,(H,19,25)