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

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

Systemtic Name:1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-octadecyl-thiourea
Openeye Name:1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-octadecyl-thiourea
CAS Name:1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-octadecylthiourea
IUPAC Name:1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-octadecylthiourea
Traditional Name:1-[(E)-piperonylideneamino]-3-stearyl-thiourea
Formula: C27H45N3O2S
MolecularWeight: 475.7301
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC2=C(C=C1)OCO2


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/C1=CC2=C(C=C1)OCO2


InChI

InChI=1S/C27H45N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-27(33)30-29-22-24-18-19-25-26(21-24)32-23-31-25/h18-19,21-22H,2-17,20,23H2,1H3,(H2,28,30,33)/b29-22+


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