4-[(E)-3-phenylprop-2-enyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(E)-3-phenylprop-2-enyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(4-isopropylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(E)-3-phenylprop-2-enyl]-N-(4-propan-2-ylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(E)-3-phenylprop-2-enyl]-N-(4-propan-2-ylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-p-cumenyl-piperazin-4-ium-1-carbothioamide Formula: C23H30N3S+ MolecularWeight: 380.5694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H29N3S/c1-19(2)21-10-12-22(13-11-21)24-23(27)26-17-15-25(16-18-26)14-6-9-20-7-4-3-5-8-20/h3-13,19H,14-18H2,1-2H3,(H,24,27)/p+1/b9-6+