3-(2-methylphenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(2-methylphenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(o-tolyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(2-methylphenyl)-1-[3-(1-pyrrolidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(2-methylphenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(o-tolyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(2-thenyl)thiourea Formula: C20H28N3S2+ MolecularWeight: 374.58642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CS3

InChI

InChI=1S/C20H27N3S2/c1-17-8-2-3-10-19(17)21-20(24)23(16-18-9-6-15-25-18)14-7-13-22-11-4-5-12-22/h2-3,6,8-10,15H,4-5,7,11-14,16H2,1H3,(H,21,24)/p+1