3-(4-chloranyl-3-methyl-phenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(4-chloranyl-3-methyl-phenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(4-chloro-3-methyl-phenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(4-chloro-3-methylphenyl)-1-[3-(1-pyrrolidin-1-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(4-chloro-3-methylphenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(4-chloro-3-methyl-phenyl)-1-(3-pyrrolidin-1-ium-1-ylpropyl)-1-(2-thenyl)thiourea Formula: C20H27ClN3S2+ MolecularWeight: 409.03148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CCC[NH+]2CCCC2)CC3=CC=CS3)Cl

InChI

InChI=1S/C20H26ClN3S2/c1-16-14-17(7-8-19(16)21)22-20(25)24(15-18-6-4-13-26-18)12-5-11-23-9-2-3-10-23/h4,6-8,13-14H,2-3,5,9-12,15H2,1H3,(H,22,25)/p+1