1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C21H28ClN4O4S2+ MolecularWeight: 500.05442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CO4

InChI

InChI=1S/C21H27ClN4O4S2/c22-17-6-5-16(32(27,28)26-9-12-29-13-10-26)14-18(17)24-21(31)23-15-19(20-4-3-11-30-20)25-7-1-2-8-25/h3-6,11,14,19H,1-2,7-10,12-13,15H2,(H2,23,24,31)/p+1/t19-/m0/s1