1-(3,5-dimethylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(3,5-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=CC(=CC(=C1)NC(=S)NCC(C2=CC=CS2)N3CC[NH+](CC3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4S2/c1-15-11-16(2)13-17(12-15)22-20(25)21-14-18(19-5-4-10-26-19)24-8-6-23(3)7-9-24/h4-5,10-13,18H,6-9,14H2,1-3H3,(H2,21,22,25)/p+1/t18-/m1/s1