1-(2-morpholin-4-ium-4-ylethyl)-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea Traditional Name: 1-[[4-(2-ketopyrrolidino)benzoyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C18H26N5O3S+ MolecularWeight: 392.49574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NNC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NNC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H25N5O3S/c24-16-2-1-8-23(16)15-5-3-14(4-6-15)17(25)20-21-18(27)19-7-9-22-10-12-26-13-11-22/h3-6H,1-2,7-13H2,(H,20,25)(H2,19,21,27)/p+1