3-ethyl-1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 3-ethyl-1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 3-ethyl-1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-ethyl-1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 3-ethyl-1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-ethyl-1-(4-fluorobenzyl)-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC1=CC=C(C=C1)F)CC2=CC3=C(C=C(C=C3)OC)NC2=O

Isomeric SMILES

CCNC(=S)N(CC1=CC=C(C=C1)F)CC2=CC3=C(C=C(C=C3)OC)NC2=O

InChI

InChI=1S/C21H22FN3O2S/c1-3-23-21(28)25(12-14-4-7-17(22)8-5-14)13-16-10-15-6-9-18(27-2)11-19(15)24-20(16)26/h4-11H,3,12-13H2,1-2H3,(H,23,28)(H,24,26)