1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-phenethyl-thiourea

Systemtic Name: 1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-phenethyl-thiourea Openeye Name: 1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-phenethyl-thiourea CAS Name: 1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-phenethylthiourea IUPAC Name: 1-[2-[6-[(E)-hydroxyiminomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-phenethylthiourea Traditional Name: 1-[2-[6-[(E)-hydroximinomethyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-1-methyl-3-phenethyl-thiourea Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC2=C(C(=C1C=NO)OC)OCO2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CN(CCC1=CC2=C(C(=C1/C=N/O)OC)OCO2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-24(21(29)22-10-8-15-6-4-3-5-7-15)11-9-16-12-18-20(28-14-27-18)19(26-2)17(16)13-23-25/h3-7,12-13,25H,8-11,14H2,1-2H3,(H,22,29)/b23-13+