ethyl 4-[(2-propan-2-ylphenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-propan-2-ylphenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-isopropylphenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(2-propan-2-ylanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-propan-2-ylphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-(o-cumenylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=CC=C2C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=CC=C2C(C)C

InChI

InChI=1S/C17H25N3O2S/c1-4-22-17(21)20-11-9-19(10-12-20)16(23)18-15-8-6-5-7-14(15)13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,23)