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1-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-octadecyl-thiourea

1-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-octadecyl-thiourea

Systemtic Name:1-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-octadecyl-thiourea
Openeye Name:1-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-octadecyl-thiourea
CAS Name:1-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-octadecylthiourea
IUPAC Name:1-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-octadecylthiourea
Traditional Name:1-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-stearyl-thiourea
Formula: C27H46IN3O2S
MolecularWeight: 603.64251
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NNC=C1C=C(C(=O)C(=C1)I)OC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NNC=C1C=C(C(=O)C(=C1)I)OC


InChI

InChI=1S/C27H46IN3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-27(34)31-30-22-23-20-24(28)26(32)25(21-23)33-2/h20-22,30H,3-19H2,1-2H3,(H2,29,31,34)


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