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1-[(E)-heptadec-8-enyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]thiourea

1-[(E)-heptadec-8-enyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]thiourea

Systemtic Name:1-[(E)-heptadec-8-enyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]thiourea
Openeye Name:1-[(E)-heptadec-8-enyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]thiourea
CAS Name:1-[(E)-heptadec-8-enyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea
IUPAC Name:1-[(E)-heptadec-8-enyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea
Traditional Name:1-[(E)-heptadec-8-enyl]-3-vanillyl-thiourea
Formula: C26H44N2O2S
MolecularWeight: 448.70476
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCNC(=S)NCC1=CC(=C(C=C1)O)OC


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCNC(=S)NCC1=CC(=C(C=C1)O)OC


InChI

InChI=1S/C26H44N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-26(31)28-22-23-18-19-24(29)25(21-23)30-2/h10-11,18-19,21,29H,3-9,12-17,20,22H2,1-2H3,(H2,27,28,31)/b11-10+


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