1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C16H23N4O4S+ MolecularWeight: 367.44322

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NNC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NNC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H22N4O4S/c21-15(14-11-23-12-3-1-2-4-13(12)24-14)18-19-16(25)17-5-6-20-7-9-22-10-8-20/h1-4,14H,5-11H2,(H,18,21)(H2,17,19,25)/p+1/t14-/m1/s1