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

Systemtic Name: ethyl 2-[4-[(4-butylphenyl)carbamothioyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(4-butylphenyl)carbamothioyl]piperazin-1-yl]acetate CAS Name: 2-[4-[(4-butylanilino)-sulfanylidenemethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-butylphenyl)carbamothioyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[(4-butylphenyl)thiocarbamoyl]piperazino]acetic acid ethyl ester Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)OCC

InChI

InChI=1S/C19H29N3O2S/c1-3-5-6-16-7-9-17(10-8-16)20-19(25)22-13-11-21(12-14-22)15-18(23)24-4-2/h7-10H,3-6,11-15H2,1-2H3,(H,20,25)