2-[2-ethoxy-4-(4-ethylpiperazin-1-yl)carbothioyl-phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-ethoxy-4-(4-ethylpiperazin-1-yl)carbothioyl-phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-ethoxy-4-(4-ethylpiperazine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[2-ethoxy-4-[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-ethoxy-4-(4-ethylpiperazine-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[2-ethoxy-4-(4-ethylpiperazine-1-carbothioyl)phenoxy]-1-pyrrolidino-ethanone Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)N3CCCC3)OCC

Isomeric SMILES

CCN1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)N3CCCC3)OCC

InChI

InChI=1S/C21H31N3O3S/c1-3-22-11-13-24(14-12-22)21(28)17-7-8-18(19(15-17)26-4-2)27-16-20(25)23-9-5-6-10-23/h7-8,15H,3-6,9-14,16H2,1-2H3