1-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(Z)-1-benzo[e]benzofuran-2-ylethylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(Z)-1-(2-benzo[e]benzofuranyl)ethylideneamino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(Z)-1-benzo[e]benzofuran-2-ylethylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC[NH+]1CCOCC1)C2=CC3=C(O2)C=CC4=CC=CC=C43

Isomeric SMILES

C/C(=N/NC(=S)NCC[NH+]1CCOCC1)/C2=CC3=C(O2)C=CC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O2S/c1-15(23-24-21(28)22-8-9-25-10-12-26-13-11-25)20-14-18-17-5-3-2-4-16(17)6-7-19(18)27-20/h2-7,14H,8-13H2,1H3,(H2,22,24,28)/p+1/b23-15-