N-(4-butylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(E)-cinnamyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-[(E)-cinnamyl]piperazine-1-carbothioamide Formula: C24H31N3S MolecularWeight: 393.58804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3S/c1-2-3-8-22-12-14-23(15-13-22)25-24(28)27-19-17-26(18-20-27)16-7-11-21-9-5-4-6-10-21/h4-7,9-15H,2-3,8,16-20H2,1H3,(H,25,28)/b11-7+