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

Systemtic Name: 1-(3-methylphenyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(m-tolyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(3-methylphenyl)-3-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(3-methylphenyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(m-tolyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiourea Formula: C18H24N3S2+ MolecularWeight: 346.53326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NCC(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC[C@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C18H23N3S2/c1-14-6-4-7-15(12-14)20-18(22)19-13-16(17-8-5-11-23-17)21-9-2-3-10-21/h4-8,11-12,16H,2-3,9-10,13H2,1H3,(H2,19,20,22)/p+1/t16-/m1/s1