1-(3-morpholin-4-ium-4-ylpropyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(3-pyrrolidinosulfonylphenyl)thiourea Formula: C18H29N4O3S2+ MolecularWeight: 413.57786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3S2/c23-27(24,22-9-1-2-10-22)17-6-3-5-16(15-17)20-18(26)19-7-4-8-21-11-13-25-14-12-21/h3,5-6,15H,1-2,4,7-14H2,(H2,19,20,26)/p+1