1-(4-ethanoylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(4-acetylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]thiourea Formula: C20H28N4OS2+2 MolecularWeight: 404.59252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CS2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H26N4OS2/c1-15(25)16-5-7-17(8-6-16)22-20(26)21-14-18(19-4-3-13-27-19)24-11-9-23(2)10-12-24/h3-8,13,18H,9-12,14H2,1-2H3,(H2,21,22,26)/p+2/t18-/m1/s1