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

Systemtic Name: 1-(4-ethylphenyl)-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(4-ethylphenyl)-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(4-ethylphenyl)-3-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(4-ethylphenyl)-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(4-ethylphenyl)-3-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea Formula: C20H29N4S2+ MolecularWeight: 389.60106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CS2)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC[C@@H](C2=CC=CS2)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H28N4S2/c1-3-16-6-8-17(9-7-16)22-20(25)21-15-18(19-5-4-14-26-19)24-12-10-23(2)11-13-24/h4-9,14,18H,3,10-13,15H2,1-2H3,(H2,21,22,25)/p+1/t18-/m0/s1