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

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-p-anisyl-thiourea Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/c1-3-24-12-14-25(15-13-24)19-8-6-18(7-9-19)23-21(27)22-16-17-4-10-20(26-2)11-5-17/h4-11H,3,12-16H2,1-2H3,(H2,22,23,27)/p+1