1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea CAS Name: 1-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-phenethylthiourea IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenethylthiourea Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea Formula: C21H29N4S+ MolecularWeight: 369.54676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4S/c1-2-24-14-16-25(17-15-24)20-10-8-19(9-11-20)23-21(26)22-13-12-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H2,22,23,26)/p+1