1-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]thiourea CAS Name: 1-[2-[4-(4-ethoxyphenyl)-1-piperazin-1-iumyl]ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]thiourea Traditional Name: 1-benzyl-3-[2-(4-p-phenetylpiperazin-1-ium-1-yl)ethyl]thiourea Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4OS/c1-2-27-21-10-8-20(9-11-21)26-16-14-25(15-17-26)13-12-23-22(28)24-18-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H2,23,24,28)/p+1