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1-(1-adamantyl)-3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]thiourea

1-(1-adamantyl)-3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]thiourea

Systemtic Name:1-(1-adamantyl)-3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]thiourea
Openeye Name:1-(1-adamantyl)-3-[(E)-1,3-benzodioxol-5-ylmethyleneamino]thiourea
CAS Name:1-(1-adamantyl)-3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]thiourea
IUPAC Name:1-(1-adamantyl)-3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]thiourea
Traditional Name:1-(1-adamantyl)-3-[(E)-piperonylideneamino]thiourea
Formula: C19H23N3O2S
MolecularWeight: 357.46982
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC5=C(C=C4)OCO5


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)N/N=C/C4=CC5=C(C=C4)OCO5


InChI

InChI=1S/C19H23N3O2S/c25-18(21-19-7-13-3-14(8-19)5-15(4-13)9-19)22-20-10-12-1-2-16-17(6-12)24-11-23-16/h1-2,6,10,13-15H,3-5,7-9,11H2,(H2,21,22,25)/b20-10+


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