1-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea

Systemtic Name: 1-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea Openeye Name: 1-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea CAS Name: 1-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-phenethylthiourea IUPAC Name: 1-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenethylthiourea Traditional Name: 1-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-phenethyl-thiourea Formula: C21H28ClN4S+ MolecularWeight: 403.99182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4S/c1-2-25-12-14-26(15-13-25)20-9-8-18(22)16-19(20)24-21(27)23-11-10-17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3,(H2,23,24,27)/p+1