3-(4-ethanoylphenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 3-(4-ethanoylphenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 3-(4-acetylphenyl)-1-(2-furylmethyl)-1-(3-morpholinopropyl)thiourea CAS Name: 3-(4-acetylphenyl)-1-(2-furanylmethyl)-1-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 3-(4-acetylphenyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 3-(4-acetylphenyl)-1-(2-furfuryl)-1-(3-morpholinopropyl)thiourea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3

InChI

InChI=1S/C21H27N3O3S/c1-17(25)18-5-7-19(8-6-18)22-21(28)24(16-20-4-2-13-27-20)10-3-9-23-11-14-26-15-12-23/h2,4-8,13H,3,9-12,14-16H2,1H3,(H,22,28)