ethyl 4-[(4-butylphenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-butylphenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-butylphenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(4-butylanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-butylphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(4-butylphenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-3-5-6-15-7-9-16(10-8-15)19-17(24)20-11-13-21(14-12-20)18(22)23-4-2/h7-10H,3-6,11-14H2,1-2H3,(H,19,24)