1-(2-morpholin-4-ium-4-ylethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(3-pyrrolidinosulfonylphenyl)thiourea Formula: C17H27N4O3S2+ MolecularWeight: 399.55128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H26N4O3S2/c22-26(23,21-7-1-2-8-21)16-5-3-4-15(14-16)19-17(25)18-6-9-20-10-12-24-13-11-20/h3-5,14H,1-2,6-13H2,(H2,18,19,25)/p+1