ethyl 4-[(4-butyl-2-methyl-phenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-butyl-2-methyl-phenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-butyl-2-methyl-phenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(4-butyl-2-methylanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-butyl-2-methylphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(4-butyl-2-methyl-phenyl)thiocarbamoyl]piperazine-1-carboxylic 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)C(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-4-6-7-16-8-9-17(15(3)14-16)20-18(25)21-10-12-22(13-11-21)19(23)24-5-2/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,25)