1-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-3-butyl-1-methyl-thiourea

Systemtic Name: 1-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-3-butyl-1-methyl-thiourea Openeye Name: 1-[(E)-(5-bromo-2-fluoro-phenyl)methyleneamino]-3-butyl-1-methyl-thiourea CAS Name: 1-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-butyl-1-methylthiourea IUPAC Name: 1-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-butyl-1-methylthiourea Traditional Name: 1-[(E)-(5-bromo-2-fluoro-benzylidene)amino]-3-butyl-1-methyl-thiourea Formula: C13H17BrFN3S MolecularWeight: 346.261583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(C)N=CC1=C(C=CC(=C1)Br)F

Isomeric SMILES

CCCCNC(=S)N(C)/N=C/C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C13H17BrFN3S/c1-3-4-7-16-13(19)18(2)17-9-10-8-11(14)5-6-12(10)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)/b17-9+