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

Systemtic Name: 1-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]-3-p-cumenyl-thiourea Formula: C21H32N4S2+2 MolecularWeight: 404.63558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4S2/c1-16(2)17-6-8-18(9-7-17)23-21(26)22-15-19(20-5-4-14-27-20)25-12-10-24(3)11-13-25/h4-9,14,16,19H,10-13,15H2,1-3H3,(H2,22,23,26)/p+2/t19-/m1/s1