1-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]thiourea Openeye Name: [(E)-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]thiourea CAS Name: [(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]thiourea IUPAC Name: [(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]thiourea Traditional Name: [(E)-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]thiourea Formula: C12H12BrN3O2S MolecularWeight: 342.21158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=S)N)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=S)N)Br)OCC#C

InChI

InChI=1S/C12H12BrN3O2S/c1-3-4-18-11-9(13)5-8(6-10(11)17-2)7-15-16-12(14)19/h1,5-7H,4H2,2H3,(H3,14,16,19)/b15-7+