1-[(E)-(3-bromanyl-4,5-dimethoxy-phenyl)methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-(3-bromanyl-4,5-dimethoxy-phenyl)methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-(3-bromo-4,5-dimethoxy-phenyl)methyleneamino]thiourea CAS Name: 1-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-(3-bromo-4,5-dimethoxy-benzylidene)amino]thiourea Formula: C13H16BrN3O2S MolecularWeight: 358.25404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=S)NCC=C)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=S)NCC=C)Br)OC

InChI

InChI=1S/C13H16BrN3O2S/c1-4-5-15-13(20)17-16-8-9-6-10(14)12(19-3)11(7-9)18-2/h4,6-8H,1,5H2,2-3H3,(H2,15,17,20)/b16-8+