1-[[2-bromanyl-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[[2-bromanyl-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[[2-bromo-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[2-bromo-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[[2-bromo-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[[2-bromo-5-ethoxy-4-(3-fluorobenzyl)oxy-benzylidene]amino]-3-ethyl-thiourea Formula: C19H21BrFN3O2S MolecularWeight: 454.356343

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C=C1Br)OCC2=CC(=CC=C2)F)OCC

Isomeric SMILES

CCNC(=S)NN=CC1=CC(=C(C=C1Br)OCC2=CC(=CC=C2)F)OCC

InChI

InChI=1S/C19H21BrFN3O2S/c1-3-22-19(27)24-23-11-14-9-17(25-4-2)18(10-16(14)20)26-12-13-6-5-7-15(21)8-13/h5-11H,3-4,12H2,1-2H3,(H2,22,24,27)