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

Systemtic Name: N-(2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: N-(2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(o-tolyl)piperazine-1-carbothioamide Formula: C21H25N3S MolecularWeight: 351.5083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25N3S/c1-18-8-5-6-12-20(18)22-21(25)24-16-14-23(15-17-24)13-7-11-19-9-3-2-4-10-19/h2-12H,13-17H2,1H3,(H,22,25)/b11-7+