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

Systemtic Name: 1-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiourea Traditional Name: 1-benzyl-3-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiourea Formula: C20H26ClN4S+ MolecularWeight: 389.96524

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN4S/c1-2-24-10-12-25(13-11-24)19-9-8-17(21)14-18(19)23-20(26)22-15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H2,22,23,26)/p+1