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

Systemtic Name: 1-(3-methylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-3-(m-tolyl)thiourea CAS Name: 1-(3-methylphenyl)-3-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(3-methylphenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-3-(m-tolyl)thiourea Formula: C19H27N4S2+ MolecularWeight: 375.57448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4S2/c1-15-5-3-6-16(13-15)21-19(24)20-14-17(18-7-4-12-25-18)23-10-8-22(2)9-11-23/h3-7,12-13,17H,8-11,14H2,1-2H3,(H2,20,21,24)/p+1/t17-/m1/s1