1-(2,6-dimethylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[(2R)-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:

CC1=C(C(=CC=C1)C)NC(=S)NCC(C2=CC=CS2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC[C@H](C2=CC=CS2)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H28N4S2/c1-15-6-4-7-16(2)19(15)22-20(25)21-14-17(18-8-5-13-26-18)24-11-9-23(3)10-12-24/h4-8,13,17H,9-12,14H2,1-3H3,(H2,21,22,25)/p+1/t17-/m1/s1