1-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H25N4O4S+ MolecularWeight: 381.4698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=NNC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=N\NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C17H24N4O4S/c1-22-14-9-13(10-15-16(14)25-12-24-15)11-19-20-17(26)18-3-2-4-21-5-7-23-8-6-21/h9-11H,2-8,12H2,1H3,(H2,18,20,26)/p+1/b19-11-