3-(3-fluorophenyl)-1-(3-methoxypropyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]thiourea

Systemtic Name: 3-(3-fluorophenyl)-1-(3-methoxypropyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]thiourea Openeye Name: 3-(3-fluorophenyl)-1-(3-methoxypropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea CAS Name: 3-(3-fluorophenyl)-1-(3-methoxypropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea IUPAC Name: 3-(3-fluorophenyl)-1-(3-methoxypropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea Traditional Name: 3-(3-fluorophenyl)-1-[(2-keto-1H-quinolin-4-yl)methyl]-1-(3-methoxypropyl)thiourea Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=CC(=CC=C3)F

Isomeric SMILES

COCCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-27-11-5-10-25(21(28)23-17-7-4-6-16(22)13-17)14-15-12-20(26)24-19-9-3-2-8-18(15)19/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H,23,28)(H,24,26)