1-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-1-(benzofuran-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-1-(2-benzofuranyl)ethylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-1-(benzofuran-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCC[NH+]1CCOCC1)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C/C(=N/NC(=S)NCCC[NH+]1CCOCC1)/C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C18H24N4O2S/c1-14(17-13-15-5-2-3-6-16(15)24-17)20-21-18(25)19-7-4-8-22-9-11-23-12-10-22/h2-3,5-6,13H,4,7-12H2,1H3,(H2,19,21,25)/p+1/b20-14-