1-(2-morpholin-4-ium-4-ylethyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thiourea Formula: C21H34N5O4S2+ MolecularWeight: 484.65576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NCC[NH+]4CCOCC4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H33N5O4S2/c27-32(28,26-11-15-30-16-12-26)18-3-4-20(25-6-1-2-7-25)19(17-18)23-21(31)22-5-8-24-9-13-29-14-10-24/h3-4,17H,1-2,5-16H2,(H2,22,23,31)/p+1