1-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(3-methylbenzofuran-2-carbonyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(3-methylbenzofuran-2-carbonyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H24N4O3S/c1-13-14-5-2-3-6-15(14)25-16(13)17(23)20-21-18(26)19-7-4-8-22-9-11-24-12-10-22/h2-3,5-6H,4,7-12H2,1H3,(H,20,23)(H2,19,21,26)/p+1