1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C21H29N4O4S2+ MolecularWeight: 465.60936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S2/c26-31(27,25-11-14-28-15-12-25)18-7-5-17(6-8-18)23-21(30)22-16-19(20-4-3-13-29-20)24-9-1-2-10-24/h3-8,13,19H,1-2,9-12,14-16H2,(H2,22,23,30)/p+1/t19-/m0/s1