4-[(4-butylphenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[(4-butylphenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[(4-butylphenyl)carbamothioyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[(4-butylanilino)-sulfanylidenemethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[(4-butylphenyl)thiocarbamoyl]-N-phenyl-piperazine-1-carboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4OS/c1-2-3-7-18-10-12-20(13-11-18)24-22(28)26-16-14-25(15-17-26)21(27)23-19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3,(H,23,27)(H,24,28)