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

Systemtic Name: 1-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-1-(3-ethylbenzofuran-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-1-(3-ethyl-2-benzofuranyl)ethylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-1-(3-ethylbenzofuran-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=CC=CC=C21)C(=NNC(=S)NCCC[NH+]3CCOCC3)C

Isomeric SMILES

CCC1=C(OC2=CC=CC=C21)/C(=N\NC(=S)NCCC[NH+]3CCOCC3)/C

InChI

InChI=1S/C20H28N4O2S/c1-3-16-17-7-4-5-8-18(17)26-19(16)15(2)22-23-20(27)21-9-6-10-24-11-13-25-14-12-24/h4-5,7-8H,3,6,9-14H2,1-2H3,(H2,21,23,27)/p+1/b22-15-