1-(4-ethoxyphenyl)-3-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-propan-2-yl]thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[(1R,2S)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[(1S,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[(1S,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-[(1R,2S)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethyl]-3-p-phenetyl-thiourea Formula: C23H34N4OS+2 MolecularWeight: 414.60726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC(C)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N[C@H](C)[C@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C23H32N4OS/c1-4-28-21-12-10-20(11-13-21)25-23(29)24-18(2)22(19-8-6-5-7-9-19)27-16-14-26(3)15-17-27/h5-13,18,22H,4,14-17H2,1-3H3,(H2,24,25,29)/p+2/t18-,22-/m1/s1