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

Systemtic Name: 1-(3-bromophenyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(3-bromophenyl)-3-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiourea Formula: C17H21BrN3S2+ MolecularWeight: 411.40274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NC2=CC(=CC=C2)Br)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=S)NC2=CC(=CC=C2)Br)C3=CC=CS3

InChI

InChI=1S/C17H20BrN3S2/c18-13-5-3-6-14(11-13)20-17(22)19-12-15(16-7-4-10-23-16)21-8-1-2-9-21/h3-7,10-11,15H,1-2,8-9,12H2,(H2,19,20,22)/p+1/t15-/m1/s1