1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(piperonyloylamino)thiourea Formula: C15H21N4O4S+ MolecularWeight: 353.41664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4S/c20-14(11-1-2-12-13(9-11)23-10-22-12)17-18-15(24)16-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8,10H2,(H,17,20)(H2,16,18,24)/p+1