1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-(piperonyloylamino)thiourea Formula: C16H23N4O4S+ MolecularWeight: 367.44322

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N4O4S/c21-15(12-2-3-13-14(10-12)24-11-23-13)18-19-16(25)17-4-1-5-20-6-8-22-9-7-20/h2-3,10H,1,4-9,11H2,(H,18,21)(H2,17,19,25)/p+1