1-[(E)-[3-iodanyl-5-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[3-iodanyl-5-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]thiourea Openeye Name: [(E)-[4-[2-(2-allylphenoxy)ethoxy]-3-iodo-5-methoxy-phenyl]methyleneamino]thiourea CAS Name: [(E)-[3-iodo-5-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-iodo-5-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]thiourea Traditional Name: [(E)-[4-[2-(2-allylphenoxy)ethoxy]-3-iodo-5-methoxy-benzylidene]amino]thiourea Formula: C20H22IN3O3S MolecularWeight: 511.37645

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=S)N)I)OCCOC2=CC=CC=C2CC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=S)N)I)OCCOC2=CC=CC=C2CC=C

InChI

InChI=1S/C20H22IN3O3S/c1-3-6-15-7-4-5-8-17(15)26-9-10-27-19-16(21)11-14(12-18(19)25-2)13-23-24-20(22)28/h3-5,7-8,11-13H,1,6,9-10H2,2H3,(H3,22,24,28)/b23-13+