1-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-3-p-cumenyl-thiourea Formula: C21H31N4S2+ MolecularWeight: 403.62764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CS2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NC[C@@H](C2=CC=CS2)N3CC[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+1/t19-/m0/s1