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

Systemtic Name: 1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCC[NH+]1CCOCC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N/NC(=S)NCCC[NH+]1CCOCC1)/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H24N4O3S/c1-13(14-3-4-15-16(11-14)24-12-23-15)19-20-17(25)18-5-2-6-21-7-9-22-10-8-21/h3-4,11H,2,5-10,12H2,1H3,(H2,18,20,25)/p+1/b19-13-