ethyl 2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]acetate CAS Name: 2-[4-[(2-ethoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]acetate Traditional Name: 2-[4-(o-phenetylthiocarbamoyl)piperazino]acetic acid ethyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)CC(=O)OCC

InChI

InChI=1S/C17H25N3O3S/c1-3-22-15-8-6-5-7-14(15)18-17(24)20-11-9-19(10-12-20)13-16(21)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,24)