1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[2-(phenylthio)ethyl]thiourea Formula: C21H29N4S2+ MolecularWeight: 401.61176

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H28N4S2/c1-2-24-13-15-25(16-14-24)19-10-8-18(9-11-19)23-21(26)22-12-17-27-20-6-4-3-5-7-20/h3-11H,2,12-17H2,1H3,(H2,22,23,26)/p+1