N-(2-methoxy-5-methyl-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS/c1-18-10-11-21(26-2)20(17-18)23-22(27)25-15-13-24(14-16-25)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16H2,1-2H3,(H,23,27)/b9-6+